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

C16H29N3O2 — CID 111508901

IUPACN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(NC1CCN(CC2CCCC2)C1)N1CCCC(O)C1
InChIInChI=1S/C16H29N3O2/c20-15-6-3-8-19(12-15)16(21)17-14-7-9-18(11-14)10-13-4-1-2-5-13/h13-15,20H,1-12H2,(H,17,21)
InChIKeyLFOXTFWYTFYJKU-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.42
Rot. Bonds3

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

N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 111508901) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide
PubChem CID111508901
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(NC1CCN(CC2CCCC2)C1)N1CCCC(O)C1
InChIInChI=1S/C16H29N3O2/c20-15-6-3-8-19(12-15)16(21)17-14-7-9-18(11-14)10-13-4-1-2-5-13/h13-15,20H,1-12H2,(H,17,21)
InChIKeyLFOXTFWYTFYJKU-UHFFFAOYSA-N
XLogP1.42
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867658
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60600680
N-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60601133
1-(cyclopentylmethyl)pyrrolidin-3-ol
CID 62916815
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
N-(2-cyclohexylethyl)-3-hydroxypiperidine-1-carboxamide
CID 110896376
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
3-hydroxy-N-(3-methylcyclohexyl)piperidine-1-carboxamide
CID 110896538
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
(3S)-3-[(4-methylpiperidin-1-yl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 100671853
N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide
CID 96568508

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide (CID 111508901) is N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide is O=C(NC1CCN(CC2CCCC2)C1)N1CCCC(O)C1.
What is the InChIKey of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is LFOXTFWYTFYJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c20-15-6-3-8-19(12-15)16(21)17-14-7-9-18(11-14)10-13-4-1-2-5-13/h13-15,20H,1-12H2,(H,17,21).
What are the key properties of N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide?
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.42, 3 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-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 111508901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).