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

C20H27N3O — CID 95211193

IUPACN-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
SMILESN#Cc1cccc(CN2CC[C@H](CNC(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C20H27N3O/c21-12-16-5-4-6-17(11-16)14-23-10-9-18(15-23)13-22-20(24)19-7-2-1-3-8-19/h4-6,11,18-19H,1-3,7-10,13-15H2,(H,22,24)/t18-/m1/s1
InChIKeyQUWDBHLAGIJMTP-GOSISDBHSA-N
MW325.46 g/mol
LogP3.08
Rot. Bonds5

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

N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide (PubChem CID 95211193) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
PubChem CID95211193
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
SMILESN#Cc1cccc(CN2CC[C@H](CNC(=O)C3CCCCC3)C2)c1
InChIInChI=1S/C20H27N3O/c21-12-16-5-4-6-17(11-16)14-23-10-9-18(15-23)13-22-20(24)19-7-2-1-3-8-19/h4-6,11,18-19H,1-3,7-10,13-15H2,(H,22,24)/t18-/m1/s1
InChIKeyQUWDBHLAGIJMTP-GOSISDBHSA-N
XLogP3.08
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.08
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]piperidin-3-yl]methyl]cyclohexanecarboxamide
CID 95230201
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
3-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129367782
N-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 56708357
3-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 56884257
N-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95196955
3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 63251060
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
3-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]propanamide
CID 77083170
3-cyano-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 54927964

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide (CID 95211193) is N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide is N#Cc1cccc(CN2CC[C@H](CNC(=O)C3CCCCC3)C2)c1.
What is the InChIKey of N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The InChIKey is QUWDBHLAGIJMTP-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O/c21-12-16-5-4-6-17(11-16)14-23-10-9-18(15-23)13-22-20(24)19-7-2-1-3-8-19/h4-6,11,18-19H,1-3,7-10,13-15H2,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.08, 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]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 95211193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).