2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide

C15H23N3O — CID 82246217

IUPAC2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)C1CN(C(=O)Nc2ccccc2)C(C)CN1
InChIInChI=1S/C15H23N3O/c1-11(2)14-10-18(12(3)9-16-14)15(19)17-13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,17,19)
InChIKeyUAHZSCGLJICYLH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds2

About 2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide

2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide (PubChem CID 82246217) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide
PubChem CID82246217
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)C1CN(C(=O)Nc2ccccc2)C(C)CN1
InChIInChI=1S/C15H23N3O/c1-11(2)14-10-18(12(3)9-16-14)15(19)17-13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,17,19)
InChIKeyUAHZSCGLJICYLH-UHFFFAOYSA-N
XLogP2.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-phenyl-2-propan-2-ylpiperazine-1-carboxamide
CID 82246231
(2-methyl-5-propan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 82245066
1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246030
(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 166001504
2-(aminomethyl)-5-methyl-N-phenylmorpholine-4-carboxamide
CID 81217697
3-methyl-N-phenylmorpholine-4-carboxamide
CID 47166676
(3R)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887206
(3S)-3-methyl-N-phenylmorpholine-4-carboxamide
CID 38887208
N-benzyl-2,5-dimethylpiperazine-1-carboxamide
CID 107654149
1-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylurea
CID 119471640
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide (CID 82246217) is 2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide is CC(C)C1CN(C(=O)Nc2ccccc2)C(C)CN1.
What is the InChIKey of 2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is UAHZSCGLJICYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)14-10-18(12(3)9-16-14)15(19)17-13-7-5-4-6-8-13/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide?
2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenyl-5-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 82246217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).