N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide

C17H22Cl2N4O2 — CID 40653589

IUPACN-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1)[C@@H]1CCCN1
InChIInChI=1S/C17H22Cl2N4O2/c18-12-3-4-14(13(19)10-12)21-17(25)23-8-6-22(7-9-23)11-16(24)15-2-1-5-20-15/h3-4,10,15,20H,1-2,5-9,11H2,(H,21,25)/t15-/m0/s1
InChIKeyWJWZGSZGTDQYAC-HNNXBMFYSA-N
MW385.30 g/mol
LogP2.46
Rot. Bonds4

About N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide

N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide (PubChem CID 40653589) has the molecular formula C17H22Cl2N4O2 and a molecular weight of 385.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
PubChem CID40653589
Molecular FormulaC17H22Cl2N4O2
Molecular Weight385.30 g/mol
Exact Mass384.11
IUPAC NameN-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1)[C@@H]1CCCN1
InChIInChI=1S/C17H22Cl2N4O2/c18-12-3-4-14(13(19)10-12)21-17(25)23-8-6-22(7-9-23)11-16(24)15-2-1-5-20-15/h3-4,10,15,20H,1-2,5-9,11H2,(H,21,25)/t15-/m0/s1
InChIKeyWJWZGSZGTDQYAC-HNNXBMFYSA-N
XLogP2.46
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-4-(2-oxo-2-pyrrolidin-2-ylethyl)piperazine-1-carboxamide
CID 4606874
N-(3-chlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
CID 40605320
N-(3,4-dichlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
CID 40620726
methyl 2-[4-[(2,4-dichlorophenyl)carbamoyl]-1,4-diazepan-1-yl]acetate
CID 78896636
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802162
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
2-[4-[(2-chloro-4-fluorophenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61186245

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide (CID 40653589) is N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1)[C@@H]1CCCN1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is WJWZGSZGTDQYAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O2/c18-12-3-4-14(13(19)10-12)21-17(25)23-8-6-22(7-9-23)11-16(24)15-2-1-5-20-15/h3-4,10,15,20H,1-2,5-9,11H2,(H,21,25)/t15-/m0/s1.
What are the key properties of N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide?
N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 385.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 40653589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).