N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide

C19H28N4O2 — CID 71984770

IUPACN-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C19H28N4O2/c1-15(24)21(2)18-9-5-6-16(14-18)20-19(25)23-12-10-22(11-13-23)17-7-3-4-8-17/h5-6,9,14,17H,3-4,7-8,10-13H2,1-2H3,(H,20,25)
InChIKeyBYWLPEBYAUOSSM-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.76
Rot. Bonds3

About N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide

N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide (PubChem CID 71984770) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide
PubChem CID71984770
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C19H28N4O2/c1-15(24)21(2)18-9-5-6-16(14-18)20-19(25)23-12-10-22(11-13-23)17-7-3-4-8-17/h5-6,9,14,17H,3-4,7-8,10-13H2,1-2H3,(H,20,25)
InChIKeyBYWLPEBYAUOSSM-UHFFFAOYSA-N
XLogP2.76
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124622105
methyl 3-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104448
(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 99582464
(9aR)-N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97022143
4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide
CID 71846805
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929

Frequently Asked Questions

What is the IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide (CID 71984770) is N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide is CC(=O)N(C)c1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide?
The InChIKey is BYWLPEBYAUOSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(24)21(2)18-9-5-6-16(14-18)20-19(25)23-12-10-22(11-13-23)17-7-3-4-8-17/h5-6,9,14,17H,3-4,7-8,10-13H2,1-2H3,(H,20,25).
What are the key properties of N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide?
N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 71984770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).