N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

C17H31N3O2 — CID 71867658

IUPACN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCN(CC2CCCC2)C1)N1CCCC(CO)C1
InChIInChI=1S/C17H31N3O2/c21-13-15-6-3-8-20(11-15)17(22)18-16-7-9-19(12-16)10-14-4-1-2-5-14/h14-16,21H,1-13H2,(H,18,22)
InChIKeyYQOILBDJBCIBTJ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.66
Rot. Bonds4

About N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 71867658) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID71867658
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCN(CC2CCCC2)C1)N1CCCC(CO)C1
InChIInChI=1S/C17H31N3O2/c21-13-15-6-3-8-20(11-15)17(22)18-16-7-9-19(12-16)10-14-4-1-2-5-14/h14-16,21H,1-13H2,(H,18,22)
InChIKeyYQOILBDJBCIBTJ-UHFFFAOYSA-N
XLogP1.66
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide
CID 111508901
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
CID 111508115
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60600680
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60601133
3-(hydroxymethyl)-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 110894815
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110901440
3-(hydroxymethyl)-N-(2-methylcyclohexyl)piperidine-1-carboxamide
CID 110882587
3-(hydroxymethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)piperidine-1-carboxamide
CID 111508645
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 71867658) is N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NC1CCN(CC2CCCC2)C1)N1CCCC(CO)C1.
What is the InChIKey of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is YQOILBDJBCIBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c21-13-15-6-3-8-20(11-15)17(22)18-16-7-9-19(12-16)10-14-4-1-2-5-14/h14-16,21H,1-13H2,(H,18,22).
What are the key properties of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71867658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).