N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide

C20H34N6O — CID 128904827

IUPACN-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCN1CC1CCCCC1)N1CCCC(n2ccnn2)C1
InChIInChI=1S/C20H34N6O/c27-20(25-12-5-9-19(16-25)26-13-10-22-23-26)21-14-18-8-4-11-24(18)15-17-6-2-1-3-7-17/h10,13,17-19H,1-9,11-12,14-16H2,(H,21,27)
InChIKeyVSZRLQHAKMNVPI-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.67
Rot. Bonds5

About N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide

N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide (PubChem CID 128904827) has the molecular formula C20H34N6O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide
PubChem CID128904827
Molecular FormulaC20H34N6O
Molecular Weight374.53 g/mol
Exact Mass374.28
IUPAC NameN-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCN1CC1CCCCC1)N1CCCC(n2ccnn2)C1
InChIInChI=1S/C20H34N6O/c27-20(25-12-5-9-19(16-25)26-13-10-22-23-26)21-14-18-8-4-11-24(18)15-17-6-2-1-3-7-17/h10,13,17-19H,1-9,11-12,14-16H2,(H,21,27)
InChIKeyVSZRLQHAKMNVPI-UHFFFAOYSA-N
XLogP2.67
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121183847
N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154889
N-(2-bicyclo[2.2.2]oct-5-enylmethyl)-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 128868999
1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506167
2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
CID 121151131
(5-cyclohexyl-1H-pyrazol-3-yl)-[3-(triazol-1-yl)piperidin-1-yl]methanone
CID 128892235
1-[(1-butylpiperidin-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122001414
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 125178566
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 166202868
N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide
CID 54152625

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide (CID 128904827) is N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide is O=C(NCC1CCCN1CC1CCCCC1)N1CCCC(n2ccnn2)C1.
What is the InChIKey of N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is VSZRLQHAKMNVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O/c27-20(25-12-5-9-19(16-25)26-13-10-22-23-26)21-14-18-8-4-11-24(18)15-17-6-2-1-3-7-17/h10,13,17-19H,1-9,11-12,14-16H2,(H,21,27).
What are the key properties of N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide?
N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3-(triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128904827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).