(2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide

C28H39N3O3 — CID 73426808

IUPAC(2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide
SMILESCc1cc(OCc2cccnc2)c(C)c2c1CC[C@H]([C@H](C)C(=O)NCCN1CCCCC1)[C@H]2O
InChIInChI=1S/C28H39N3O3/c1-19-16-25(34-18-22-8-7-11-29-17-22)21(3)26-23(19)9-10-24(27(26)32)20(2)28(33)30-12-15-31-13-5-4-6-14-31/h7-8,11,16-17,20,24,27,32H,4-6,9-10,12-15,18H2,1-3H3,(H,30,33)/t20-,24+,27+/m0/s1
InChIKeyIXCLTPUXMLOQGG-NFCJYOSASA-N
MW465.64 g/mol
LogP4.11
Rot. Bonds8

About (2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide

(2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 73426808) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is (2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide
PubChem CID73426808
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Name(2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide
SMILESCc1cc(OCc2cccnc2)c(C)c2c1CC[C@H]([C@H](C)C(=O)NCCN1CCCCC1)[C@H]2O
InChIInChI=1S/C28H39N3O3/c1-19-16-25(34-18-22-8-7-11-29-17-22)21(3)26-23(19)9-10-24(27(26)32)20(2)28(33)30-12-15-31-13-5-4-6-14-31/h7-8,11,16-17,20,24,27,32H,4-6,9-10,12-15,18H2,1-3H3,(H,30,33)/t20-,24+,27+/m0/s1
InChIKeyIXCLTPUXMLOQGG-NFCJYOSASA-N
XLogP4.11
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide with MolForge

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Related Compounds

(2S)-2-[(1R,2S)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 11867349
(2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 11867330
(2S)-N-benzyl-2-[(1R)-1-hydroxy-5,8-dimethyl-7-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide
CID 44716767
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112823978
4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 20692776
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155
N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 139793638
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55853763
2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 52588754
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124689326
N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 30837796
1-[3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]piperidin-4-ol
CID 119111975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide?
The IUPAC name of (2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide (CID 73426808) is (2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for (2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide is Cc1cc(OCc2cccnc2)c(C)c2c1CC[C@H]([C@H](C)C(=O)NCCN1CCCCC1)[C@H]2O.
What is the InChIKey of (2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide?
The InChIKey is IXCLTPUXMLOQGG-NFCJYOSASA-N. The full InChI is InChI=1S/C28H39N3O3/c1-19-16-25(34-18-22-8-7-11-29-17-22)21(3)26-23(19)9-10-24(27(26)32)20(2)28(33)30-12-15-31-13-5-4-6-14-31/h7-8,11,16-17,20,24,27,32H,4-6,9-10,12-15,18H2,1-3H3,(H,30,33)/t20-,24+,27+/m0/s1.
What are the key properties of (2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide?
(2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 465.64 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 73426808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).