N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide

C21H29N3O — CID 95230201

IUPACN-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide
SMILESN#Cc1cccc(CN2CCC[C@H](CNC(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C21H29N3O/c22-13-17-6-4-7-18(12-17)15-24-11-5-8-19(16-24)14-23-21(25)20-9-2-1-3-10-20/h4,6-7,12,19-20H,1-3,5,8-11,14-16H2,(H,23,25)/t19-/m1/s1
InChIKeyCIFDVWJLJHVNKD-LJQANCHMSA-N
MW339.48 g/mol
LogP3.47
Rot. Bonds5

About N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide

N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide (PubChem CID 95230201) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide
PubChem CID95230201
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide
SMILESN#Cc1cccc(CN2CCC[C@H](CNC(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C21H29N3O/c22-13-17-6-4-7-18(12-17)15-24-11-5-8-19(16-24)14-23-21(25)20-9-2-1-3-10-20/h4,6-7,12,19-20H,1-3,5,8-11,14-16H2,(H,23,25)/t19-/m1/s1
InChIKeyCIFDVWJLJHVNKD-LJQANCHMSA-N
XLogP3.47
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide
CID 95230202
N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95211193
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 56708357
N-[(1-benzylpiperidin-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 47082202
1-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-(4-cyanophenyl)urea
CID 52513610
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
3-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129367782
(3S)-3-[4-[(3-cyanophenyl)methyl]piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97144260
3-[[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methyl]benzonitrile
CID 99926601
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide (CID 95230201) is N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide is N#Cc1cccc(CN2CCC[C@H](CNC(=O)C3CCCCC3)C2)c1.
What is the InChIKey of N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide?
The InChIKey is CIFDVWJLJHVNKD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O/c22-13-17-6-4-7-18(12-17)15-24-11-5-8-19(16-24)14-23-21(25)20-9-2-1-3-10-20/h4,6-7,12,19-20H,1-3,5,8-11,14-16H2,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide?
N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 95230201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).