N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide

C17H23ClN4O2 — CID 40605320

IUPACN-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1)[C@H]1CCCN1
InChIInChI=1S/C17H23ClN4O2/c18-13-3-1-4-14(11-13)20-17(24)22-9-7-21(8-10-22)12-16(23)15-5-2-6-19-15/h1,3-4,11,15,19H,2,5-10,12H2,(H,20,24)/t15-/m1/s1
InChIKeyVAYWSLSKPMDOAK-OAHLLOKOSA-N
MW350.85 g/mol
LogP1.81
Rot. Bonds4

About N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide

N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide (PubChem CID 40605320) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
PubChem CID40605320
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC NameN-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1)[C@H]1CCCN1
InChIInChI=1S/C17H23ClN4O2/c18-13-3-1-4-14(11-13)20-17(24)22-9-7-21(8-10-22)12-16(23)15-5-2-6-19-15/h1,3-4,11,15,19H,2,5-10,12H2,(H,20,24)/t15-/m1/s1
InChIKeyVAYWSLSKPMDOAK-OAHLLOKOSA-N
XLogP1.81
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
CID 40620726
N-(2,4-dichlorophenyl)-4-(2-oxo-2-pyrrolidin-2-ylethyl)piperazine-1-carboxamide
CID 4606874
N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
CID 40653589
N-(3-chlorophenyl)-4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 110659237
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-[3-(3-chlorophenyl)phenyl]-4-[2-(methylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 74237755
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide (CID 40605320) is N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1)[C@H]1CCCN1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is VAYWSLSKPMDOAK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c18-13-3-1-4-14(11-13)20-17(24)22-9-7-21(8-10-22)12-16(23)15-5-2-6-19-15/h1,3-4,11,15,19H,2,5-10,12H2,(H,20,24)/t15-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 40605320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).