N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide

C22H35N3O2 — CID 42515288

IUPACN-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCOCCC(=O)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1
InChIInChI=1S/C22H35N3O2/c1-27-14-11-22(26)25(16-19-7-5-12-23-15-19)18-20-8-6-13-24(17-20)21-9-3-2-4-10-21/h5,7,12,15,20-21H,2-4,6,8-11,13-14,16-18H2,1H3/t20-/m1/s1
InChIKeyLMCLMBVHJUONOV-HXUWFJFHSA-N
MW373.54 g/mol
LogP3.49
Rot. Bonds8

About N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide

N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 42515288) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
PubChem CID42515288
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
SMILESCOCCC(=O)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1
InChIInChI=1S/C22H35N3O2/c1-27-14-11-22(26)25(16-19-7-5-12-23-15-19)18-20-8-6-13-24(17-20)21-9-3-2-4-10-21/h5,7,12,15,20-21H,2-4,6,8-11,13-14,16-18H2,1H3/t20-/m1/s1
InChIKeyLMCLMBVHJUONOV-HXUWFJFHSA-N
XLogP3.49
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97281081
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42293272
methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate
CID 42518002
3-amino-N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 72885841
1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45232683
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 56706021
N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 45180714
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 42591164
1-[(3S)-1-cyclohexylpiperidin-3-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42519066
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 56854235
2-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-6-ethoxyphenol
CID 42291480
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42521827

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide (CID 42515288) is N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide is COCCC(=O)N(Cc1cccnc1)C[C@@H]1CCCN(C2CCCCC2)C1.
What is the InChIKey of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is LMCLMBVHJUONOV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-27-14-11-22(26)25(16-19-7-5-12-23-15-19)18-20-8-6-13-24(17-20)21-9-3-2-4-10-21/h5,7,12,15,20-21H,2-4,6,8-11,13-14,16-18H2,1H3/t20-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide?
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 373.54 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 42515288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).