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-cyclopentyl-2-methoxyacetamide

C29H35ClN2O2 — CID 19381057

IUPACN-[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-cyclopentyl-2-methoxyacetamide
SMILESCOC(C(=O)NC1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1)C1CCCC1
InChIInChI=1S/C29H35ClN2O2/c1-34-27(19-6-2-3-7-19)28(33)31-21-12-14-32(15-13-21)18-29-17-24(22-8-4-5-9-25(22)29)23-11-10-20(30)16-26(23)29/h4-5,8-11,16,19,21,24,27H,2-3,6-7,12-15,17-18H2,1H3,(H,31,33)
InChIKeyFPPFSLVWEBBXNU-UHFFFAOYSA-N
MW479.06 g/mol
LogP5.26
Rot. Bonds6

About 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-cyclopentyl-2-methoxyacetamide

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-cyclopentyl-2-methoxyacetamide (PubChem CID 19381057) has the molecular formula C29H35ClN2O2 and a molecular weight of 479.06 g/mol. Its IUPAC name is 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-cyclopentyl-2-methoxyacetamide.

Molecular Properties

Compound NameN-[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-cyclopentyl-2-methoxyacetamide
PubChem CID19381057
Molecular FormulaC29H35ClN2O2
Molecular Weight479.06 g/mol
Exact Mass478.24
IUPAC NameN-[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-cyclopentyl-2-methoxyacetamide
SMILESCOC(C(=O)NC1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1)C1CCCC1
InChIInChI=1S/C29H35ClN2O2/c1-34-27(19-6-2-3-7-19)28(33)31-21-12-14-32(15-13-21)18-29-17-24(22-8-4-5-9-25(22)29)23-11-10-20(30)16-26(23)29/h4-5,8-11,16,19,21,24,27H,2-3,6-7,12-15,17-18H2,1H3,(H,31,33)
InChIKeyFPPFSLVWEBBXNU-UHFFFAOYSA-N
XLogP5.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.06
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 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-cyclopentyl-2-methoxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-cyclopentyl-2-methoxyacetamide?
The IUPAC name of 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-cyclopentyl-2-methoxyacetamide (CID 19381057) is 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-cyclopentyl-2-methoxyacetamide.
What is the SMILES notation for 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-cyclopentyl-2-methoxyacetamide?
The canonical SMILES for 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-cyclopentyl-2-methoxyacetamide is COC(C(=O)NC1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1)C1CCCC1.
What is the InChIKey of 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-cyclopentyl-2-methoxyacetamide?
The InChIKey is FPPFSLVWEBBXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN2O2/c1-34-27(19-6-2-3-7-19)28(33)31-21-12-14-32(15-13-21)18-29-17-24(22-8-4-5-9-25(22)29)23-11-10-20(30)16-26(23)29/h4-5,8-11,16,19,21,24,27H,2-3,6-7,12-15,17-18H2,1H3,(H,31,33).
What are the key properties of 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-cyclopentyl-2-methoxyacetamide?
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-cyclopentyl-2-methoxyacetamide has a molecular weight of 479.06 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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-cyclopentyl-2-methoxyacetamide is sourced from PubChem (CID 19381057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).