N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C16H18ClF3N4O2 — CID 71852720

IUPACN-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1
InChIInChI=1S/C16H18ClF3N4O2/c17-11-7-10(16(18,19)20)8-22-12(11)24-5-1-9(2-6-24)13(25)23-15(3-4-15)14(21)26/h7-9H,1-6H2,(H2,21,26)(H,23,25)
InChIKeyYQLQGFJPJAYVCF-UHFFFAOYSA-N
MW390.79 g/mol
LogP2.10
Rot. Bonds4

About N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 71852720) has the molecular formula C16H18ClF3N4O2 and a molecular weight of 390.79 g/mol. Its IUPAC name is N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID71852720
Molecular FormulaC16H18ClF3N4O2
Molecular Weight390.79 g/mol
Exact Mass390.11
IUPAC NameN-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1
InChIInChI=1S/C16H18ClF3N4O2/c17-11-7-10(16(18,19)20)8-22-12(11)24-5-1-9(2-6-24)13(25)23-15(3-4-15)14(21)26/h7-9H,1-6H2,(H2,21,26)(H,23,25)
InChIKeyYQLQGFJPJAYVCF-UHFFFAOYSA-N
XLogP2.10
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.79
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 51153994
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515805
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9272845
N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26309310
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 55340902
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 24680931
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119453373
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[4-(piperidine-1-carbonyl)piperidin-1-yl]methanone
CID 112767126
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794869
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2766908

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 71852720) is N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1.
What is the InChIKey of N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is YQLQGFJPJAYVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4O2/c17-11-7-10(16(18,19)20)8-22-12(11)24-5-1-9(2-6-24)13(25)23-15(3-4-15)14(21)26/h7-9H,1-6H2,(H2,21,26)(H,23,25).
What are the key properties of N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 390.79 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopropyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 71852720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).