N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride

C18H25Cl3N4O2 — CID 120981013

IUPACN-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1CCC(=O)N1CCNCC1
InChIInChI=1S/C18H24Cl2N4O2.ClH/c19-13-10-14(20)12-15(11-13)22-18(26)16-2-1-6-23(16)7-3-17(25)24-8-4-21-5-9-24;/h10-12,16,21H,1-9H2,(H,22,26);1H
InChIKeySUIIIIOLDYZMJK-UHFFFAOYSA-N
MW435.78 g/mol
LogP2.64
Rot. Bonds5

About N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride

N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120981013) has the molecular formula C18H25Cl3N4O2 and a molecular weight of 435.78 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120981013
Molecular FormulaC18H25Cl3N4O2
Molecular Weight435.78 g/mol
Exact Mass434.10
IUPAC NameN-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1CCC(=O)N1CCNCC1
InChIInChI=1S/C18H24Cl2N4O2.ClH/c19-13-10-14(20)12-15(11-13)22-18(26)16-2-1-6-23(16)7-3-17(25)24-8-4-21-5-9-24;/h10-12,16,21H,1-9H2,(H,22,26);1H
InChIKeySUIIIIOLDYZMJK-UHFFFAOYSA-N
XLogP2.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.78
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 120981014
N-(3,5-dichlorophenyl)-1-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 119930519
1-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 46406069
1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-2-carboxamide;hydrochloride
CID 120980433
N-(3,5-dichlorophenyl)-1-(2-pyrrolidin-2-ylacetyl)pyrrolidine-2-carboxamide
CID 119731301
1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 107654016
N-(3,5-dichlorophenyl)-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxamide
CID 78862576
3-[[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028709
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]pyrrolidine-2-carboxamide
CID 46406252
1-(7-aminoheptanoyl)-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide
CID 119731279
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxamide
CID 46406174
N-(3,5-dichlorophenyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 55628088

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride (CID 120981013) is N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cc(Cl)cc(Cl)c1)C1CCCN1CCC(=O)N1CCNCC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SUIIIIOLDYZMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N4O2.ClH/c19-13-10-14(20)12-15(11-13)22-18(26)16-2-1-6-23(16)7-3-17(25)24-8-4-21-5-9-24;/h10-12,16,21H,1-9H2,(H,22,26);1H.
What are the key properties of N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 435.78 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120981013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).