N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride

C18H27ClN4O2 — CID 119765365

IUPACN-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)N2CCN(C(=O)CC3CCCN3)CC2)c1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-14-4-2-5-16(12-14)20-18(24)22-10-8-21(9-11-22)17(23)13-15-6-3-7-19-15;/h2,4-5,12,15,19H,3,6-11,13H2,1H3,(H,20,24);1H
InChIKeyYMQYZIRAJUASLV-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.24
Rot. Bonds3

About N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride

N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 119765365) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride
PubChem CID119765365
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC NameN-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)N2CCN(C(=O)CC3CCCN3)CC2)c1.Cl
InChIInChI=1S/C18H26N4O2.ClH/c1-14-4-2-5-16(12-14)20-18(24)22-10-8-21(9-11-22)17(23)13-15-6-3-7-19-15;/h2,4-5,12,15,19H,3,6-11,13H2,1H3,(H,20,24);1H
InChIKeyYMQYZIRAJUASLV-UHFFFAOYSA-N
XLogP2.24
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
1-[4-(2-phenylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119838033
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
2-[4-[(3-methylphenyl)carbamoyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119183557
N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119833345
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119313008
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride (CID 119765365) is N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride is Cc1cccc(NC(=O)N2CCN(C(=O)CC3CCCN3)CC2)c1.Cl.
What is the InChIKey of N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is YMQYZIRAJUASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c1-14-4-2-5-16(12-14)20-18(24)22-10-8-21(9-11-22)17(23)13-15-6-3-7-19-15;/h2,4-5,12,15,19H,3,6-11,13H2,1H3,(H,20,24);1H.
What are the key properties of N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride?
N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119765365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).