N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide

C19H23N3O — CID 67690195

IUPACN-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide
SMILESCc1ccccc1N1CCNC(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C19H23N3O/c1-15-7-5-6-10-18(15)22-12-11-20-17(14-22)19(23)21-13-16-8-3-2-4-9-16/h2-10,17,20H,11-14H2,1H3,(H,21,23)
InChIKeyIIAVDOLDMSBVIQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.09
Rot. Bonds4

About N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide

N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide (PubChem CID 67690195) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide
PubChem CID67690195
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide
SMILESCc1ccccc1N1CCNC(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C19H23N3O/c1-15-7-5-6-10-18(15)22-12-11-20-17(14-22)19(23)21-13-16-8-3-2-4-9-16/h2-10,17,20H,11-14H2,1H3,(H,21,23)
InChIKeyIIAVDOLDMSBVIQ-UHFFFAOYSA-N
XLogP2.09
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-benzyl-4-[2-(naphthalen-2-ylmethylamino)-4-[4-(trifluoromethyl)phenyl]phenyl]piperazine-2-carboxamide
CID 154074508
4-(1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)piperazine-2-carboxamide
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4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide
CID 110086689
methyl 2-[(3R)-3-benzylpiperazin-1-yl]benzoate
CID 45072865
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CID 45072871
N-benzyl-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976872
N-[(4-methylphenyl)methyl]-4-[2-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide?
The IUPAC name of N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide (CID 67690195) is N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide is Cc1ccccc1N1CCNC(C(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide?
The InChIKey is IIAVDOLDMSBVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-7-5-6-10-18(15)22-12-11-20-17(14-22)19(23)21-13-16-8-3-2-4-9-16/h2-10,17,20H,11-14H2,1H3,(H,21,23).
What are the key properties of N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide?
N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-methylphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 67690195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).