N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide

C17H31N3O — CID 63006010

IUPACN-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)C1CCNC1
InChIInChI=1S/C17H31N3O/c21-16(15-7-10-18-13-15)19-14-17(8-3-1-4-9-17)20-11-5-2-6-12-20/h15,18H,1-14H2,(H,19,21)
InChIKeyZISLPJXSNXECJE-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.90
Rot. Bonds4

About N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide

N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 63006010) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
PubChem CID63006010
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(N2CCCCC2)CCCCC1)C1CCNC1
InChIInChI=1S/C17H31N3O/c21-16(15-7-10-18-13-15)19-14-17(8-3-1-4-9-17)20-11-5-2-6-12-20/h15,18H,1-14H2,(H,19,21)
InChIKeyZISLPJXSNXECJE-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119887107
N-[(4-piperidin-1-yloxan-4-yl)methyl]pyrrolidine-3-carboxamide
CID 119886746
N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride
CID 119903563
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119887041
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119782174
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 131134696
N-[(4-piperidin-1-yloxan-4-yl)methyl]morpholine-2-carboxamide
CID 119886734
N-[(1-cyclopropylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 104872740
3-piperidin-4-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide;hydrochloride
CID 119682326
2-morpholin-2-yl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119682320
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
CID 119820405

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide (CID 63006010) is N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide is O=C(NCC1(N2CCCCC2)CCCCC1)C1CCNC1.
What is the InChIKey of N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is ZISLPJXSNXECJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c21-16(15-7-10-18-13-15)19-14-17(8-3-1-4-9-17)20-11-5-2-6-12-20/h15,18H,1-14H2,(H,19,21).
What are the key properties of N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide?
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 293.46 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).