(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C14H15Cl2N5O — CID 95788981

IUPAC(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2ncn[nH]2)C1
InChIInChI=1S/C14H15Cl2N5O/c15-11-4-3-10(6-12(11)16)19-14(22)21-5-1-2-9(7-21)13-17-8-18-20-13/h3-4,6,8-9H,1-2,5,7H2,(H,19,22)(H,17,18,20)/t9-/m1/s1
InChIKeyAYTIMUUIHBQDKT-SECBINFHSA-N
MW340.21 g/mol
LogP3.52
Rot. Bonds2

About (3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 95788981) has the molecular formula C14H15Cl2N5O and a molecular weight of 340.21 g/mol. Its IUPAC name is (3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID95788981
Molecular FormulaC14H15Cl2N5O
Molecular Weight340.21 g/mol
Exact Mass339.07
IUPAC Name(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2ncn[nH]2)C1
InChIInChI=1S/C14H15Cl2N5O/c15-11-4-3-10(6-12(11)16)19-14(22)21-5-1-2-9(7-21)13-17-8-18-20-13/h3-4,6,8-9H,1-2,5,7H2,(H,19,22)(H,17,18,20)/t9-/m1/s1
InChIKeyAYTIMUUIHBQDKT-SECBINFHSA-N
XLogP3.52
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95788984
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356957
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
N-(3,4-dichlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 779758
tert-butyl 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110
6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99947738
(1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131923801
pyrrolidin-2-yl-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119889273
N-(3,4-dichlorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
CID 90491191
4-amino-N-(3,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 79867440
N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 124861052

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 95788981) is (3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2ncn[nH]2)C1.
What is the InChIKey of (3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is AYTIMUUIHBQDKT-SECBINFHSA-N. The full InChI is InChI=1S/C14H15Cl2N5O/c15-11-4-3-10(6-12(11)16)19-14(22)21-5-1-2-9(7-21)13-17-8-18-20-13/h3-4,6,8-9H,1-2,5,7H2,(H,19,22)(H,17,18,20)/t9-/m1/s1.
What are the key properties of (3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
(3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95788981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).