N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C14H21F2N5O2 — CID 154766844

IUPACN-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCC1(F)F)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C14H21F2N5O2/c15-14(16)5-1-4-10(14)7-17-13(23)21-6-2-3-9(8-21)11-18-12(22)20-19-11/h9-10H,1-8H2,(H,17,23)(H2,18,19,20,22)
InChIKeyBZSQVSDABOXGMM-UHFFFAOYSA-N
MW329.35 g/mol
LogP1.42
Rot. Bonds3

About N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 154766844) has the molecular formula C14H21F2N5O2 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID154766844
Molecular FormulaC14H21F2N5O2
Molecular Weight329.35 g/mol
Exact Mass329.17
IUPAC NameN-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCC1(F)F)N1CCCC(c2n[nH]c(=O)[nH]2)C1
InChIInChI=1S/C14H21F2N5O2/c15-14(16)5-1-4-10(14)7-17-13(23)21-6-2-3-9(8-21)11-18-12(22)20-19-11/h9-10H,1-8H2,(H,17,23)(H2,18,19,20,22)
InChIKeyBZSQVSDABOXGMM-UHFFFAOYSA-N
XLogP1.42
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 154766844) is N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide is O=C(NCC1CCCC1(F)F)N1CCCC(c2n[nH]c(=O)[nH]2)C1.
What is the InChIKey of N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is BZSQVSDABOXGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O2/c15-14(16)5-1-4-10(14)7-17-13(23)21-6-2-3-9(8-21)11-18-12(22)20-19-11/h9-10H,1-8H2,(H,17,23)(H2,18,19,20,22).
What are the key properties of N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopentyl)methyl]-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154766844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).