N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

C16H22ClN3O — CID 61020001

IUPACN-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H22ClN3O/c17-12-3-5-13(6-4-12)19-16(21)15-2-1-11-20(15)14-7-9-18-10-8-14/h3-6,14-15,18H,1-2,7-11H2,(H,19,21)
InChIKeyNOUJVXGUTWRYGZ-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.49
Rot. Bonds3

About N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide

N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 61020001) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID61020001
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC NameN-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H22ClN3O/c17-12-3-5-13(6-4-12)19-16(21)15-2-1-11-20(15)14-7-9-18-10-8-14/h3-6,14-15,18H,1-2,7-11H2,(H,19,21)
InChIKeyNOUJVXGUTWRYGZ-UHFFFAOYSA-N
XLogP2.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
N-(5-methyl-2-pyridinyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61019544
N-(6-methyl-2-pyridinyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61019426
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 116559770
(2R)-N-(4-chlorophenyl)-1-(methylcarbamothioyl)pyrrolidine-2-carboxamide
CID 899037
(2S)-N-(4-chlorophenyl)-1-(2-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
CID 110354039
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 4034649
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
2-(2-chlorophenyl)-1-(1-piperidin-4-ylpyrrolidin-2-yl)ethanone
CID 116559754
N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 84599579

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide (CID 61020001) is N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN1C1CCNCC1.
What is the InChIKey of N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is NOUJVXGUTWRYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-12-3-5-13(6-4-12)19-16(21)15-2-1-11-20(15)14-7-9-18-10-8-14/h3-6,14-15,18H,1-2,7-11H2,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide?
N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 307.82 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 61020001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).