(2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide

C25H29ClN2O2 — CID 57263609

IUPAC(2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NC1CCN(C[C@@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C25H29ClN2O2/c1-16(30-2)24(29)27-18-9-11-28(12-10-18)15-25-14-21(19-5-3-4-6-22(19)25)20-8-7-17(26)13-23(20)25/h3-8,13,16,18,21H,9-12,14-15H2,1-2H3,(H,27,29)/t16-,21+,25+/m1/s1
InChIKeyZWLOSQUNDNEOFA-RQYMNKHTSA-N
MW424.97 g/mol
LogP4.09
Rot. Bonds5

About (2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide

(2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide (PubChem CID 57263609) has the molecular formula C25H29ClN2O2 and a molecular weight of 424.97 g/mol. Its IUPAC name is (2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide
PubChem CID57263609
Molecular FormulaC25H29ClN2O2
Molecular Weight424.97 g/mol
Exact Mass424.19
IUPAC Name(2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide
SMILESCO[C@H](C)C(=O)NC1CCN(C[C@@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C25H29ClN2O2/c1-16(30-2)24(29)27-18-9-11-28(12-10-18)15-25-14-21(19-5-3-4-6-22(19)25)20-8-7-17(26)13-23(20)25/h3-8,13,16,18,21H,9-12,14-15H2,1-2H3,(H,27,29)/t16-,21+,25+/m1/s1
InChIKeyZWLOSQUNDNEOFA-RQYMNKHTSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.97
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide with MolForge

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Related Compounds

(2R)-N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-methoxypropanamide
CID 54569838
(2R)-N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-methoxy-2-phenylacetamide
CID 54258925
tert-butyl N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]carbamate
CID 19381052
N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride
CID 67753610
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]-2-phenoxyacetamide
CID 19381007
N-[1-[(4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 19381103
1-cyclopentyl-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea
CID 19737306
4-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperazin-1-amine
CID 139617007
3-[[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 142637516
(R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 66922921
1-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]propan-2-ol
CID 67637143
1-(oxan-2-yl)-3-[1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-yl]urea
CID 19380993

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide?
The IUPAC name of (2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide (CID 57263609) is (2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide.
What is the SMILES notation for (2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide?
The canonical SMILES for (2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide is CO[C@H](C)C(=O)NC1CCN(C[C@@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1.
What is the InChIKey of (2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide?
The InChIKey is ZWLOSQUNDNEOFA-RQYMNKHTSA-N. The full InChI is InChI=1S/C25H29ClN2O2/c1-16(30-2)24(29)27-18-9-11-28(12-10-18)15-25-14-21(19-5-3-4-6-22(19)25)20-8-7-17(26)13-23(20)25/h3-8,13,16,18,21H,9-12,14-15H2,1-2H3,(H,27,29)/t16-,21+,25+/m1/s1.
What are the key properties of (2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide?
(2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide has a molecular weight of 424.97 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[[(1S,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-methoxypropanamide is sourced from PubChem (CID 57263609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).