N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride

C16H25Cl2N5O2 — CID 154903512

IUPACN-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccc(NC(=O)N2CCN(C3CCNC3)CC2)c1
InChIInChI=1S/C16H23N5O2.2ClH/c17-15(22)12-2-1-3-13(10-12)19-16(23)21-8-6-20(7-9-21)14-4-5-18-11-14;;/h1-3,10,14,18H,4-9,11H2,(H2,17,22)(H,19,23);2*1H
InChIKeyCMIFANACAVTYNF-UHFFFAOYSA-N
MW390.32 g/mol
LogP1.14
Rot. Bonds3

About N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride

N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride (PubChem CID 154903512) has the molecular formula C16H25Cl2N5O2 and a molecular weight of 390.32 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
PubChem CID154903512
Molecular FormulaC16H25Cl2N5O2
Molecular Weight390.32 g/mol
Exact Mass389.14
IUPAC NameN-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccc(NC(=O)N2CCN(C3CCNC3)CC2)c1
InChIInChI=1S/C16H23N5O2.2ClH/c17-15(22)12-2-1-3-13(10-12)19-16(23)21-8-6-20(7-9-21)14-4-5-18-11-14;;/h1-3,10,14,18H,4-9,11H2,(H2,17,22)(H,19,23);2*1H
InChIKeyCMIFANACAVTYNF-UHFFFAOYSA-N
XLogP1.14
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4-methylphenyl)-4-[(3S)-pyrrolidin-3-yl]piperazine-1-carboxamide
CID 125168730
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
methyl 3-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104448
N-(4-pyridin-3-yloxyphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide
CID 74251036
N-[2-(3-methoxyphenyl)phenyl]-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154903511
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
N-[3-(cyclopropylcarbamoyl)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 154742561
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346
3-N-[(3S)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79689469
N-(3-carbamoylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119270285
N-(3-carbamoylphenyl)-4-(2-chlorophenoxy)piperidine-1-carboxamide
CID 44577727
N-(3-methylphenyl)-4-(1-piperidin-4-yltriazole-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 119765327

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
The IUPAC name of N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride (CID 154903512) is N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1cccc(NC(=O)N2CCN(C3CCNC3)CC2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
The InChIKey is CMIFANACAVTYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2.2ClH/c17-15(22)12-2-1-3-13(10-12)19-16(23)21-8-6-20(7-9-21)14-4-5-18-11-14;;/h1-3,10,14,18H,4-9,11H2,(H2,17,22)(H,19,23);2*1H.
What are the key properties of N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride?
N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride has a molecular weight of 390.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 154903512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).