(3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide

C17H17Cl3N4O — CID 134359779

IUPAC(3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC[C@@H](Nc2c(Cl)cncc2Cl)C1
InChIInChI=1S/C17H17Cl3N4O/c18-11-3-1-4-12(7-11)23-17(25)24-6-2-5-13(10-24)22-16-14(19)8-21-9-15(16)20/h1,3-4,7-9,13H,2,5-6,10H2,(H,21,22)(H,23,25)/t13-/m1/s1
InChIKeyXOHSMIUMSMLVLH-CYBMUJFWSA-N
MW399.71 g/mol
LogP5.15
Rot. Bonds3

About (3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide

(3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide (PubChem CID 134359779) has the molecular formula C17H17Cl3N4O and a molecular weight of 399.71 g/mol. Its IUPAC name is (3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide
PubChem CID134359779
Molecular FormulaC17H17Cl3N4O
Molecular Weight399.71 g/mol
Exact Mass398.05
IUPAC Name(3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC[C@@H](Nc2c(Cl)cncc2Cl)C1
InChIInChI=1S/C17H17Cl3N4O/c18-11-3-1-4-12(7-11)23-17(25)24-6-2-5-13(10-24)22-16-14(19)8-21-9-15(16)20/h1,3-4,7-9,13H,2,5-6,10H2,(H,21,22)(H,23,25)/t13-/m1/s1
InChIKeyXOHSMIUMSMLVLH-CYBMUJFWSA-N
XLogP5.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.71
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068173
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
4-[3-chloro-5-(cyclopropylmethyl)-4-pyridinyl]-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide
CID 118068272
1-(3-chlorophenyl)-3-[(1R,2R)-2-[(3,5-dichloro-4-pyridinyl)amino]cyclohexyl]urea
CID 134359666
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
1-(3-chlorophenyl)-3-[(1S,2R)-2-[(3,5-dichloro-4-pyridinyl)amino]cyclohexyl]urea
CID 175170753
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
2-[4-[(3-chlorophenyl)carbamoyl]-1,4-diazepane-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975732
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide (CID 134359779) is (3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC[C@@H](Nc2c(Cl)cncc2Cl)C1.
What is the InChIKey of (3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide?
The InChIKey is XOHSMIUMSMLVLH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17Cl3N4O/c18-11-3-1-4-12(7-11)23-17(25)24-6-2-5-13(10-24)22-16-14(19)8-21-9-15(16)20/h1,3-4,7-9,13H,2,5-6,10H2,(H,21,22)(H,23,25)/t13-/m1/s1.
What are the key properties of (3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide?
(3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide has a molecular weight of 399.71 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 134359779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).