4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide

C18H26N4O3 — CID 86981010

IUPAC4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(CC(=O)N1CCN(C(=O)N(C)C)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C18H26N4O3/c1-14(19-17(24)15-7-5-4-6-8-15)13-16(23)21-9-11-22(12-10-21)18(25)20(2)3/h4-8,14H,9-13H2,1-3H3,(H,19,24)
InChIKeyLQKGHWPETZGAMU-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.02
Rot. Bonds4

About 4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide

4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 86981010) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID86981010
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(CC(=O)N1CCN(C(=O)N(C)C)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C18H26N4O3/c1-14(19-17(24)15-7-5-4-6-8-15)13-16(23)21-9-11-22(12-10-21)18(25)20(2)3/h4-8,14H,9-13H2,1-3H3,(H,19,24)
InChIKeyLQKGHWPETZGAMU-UHFFFAOYSA-N
XLogP1.02
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide
CID 78804572
N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide
CID 47027675
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790
N-[4-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 55735695
N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide
CID 46689755
N-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 51271176
N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide
CID 124875313
N-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 24679878
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide (CID 86981010) is 4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide is CC(CC(=O)N1CCN(C(=O)N(C)C)CC1)NC(=O)c1ccccc1.
What is the InChIKey of 4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is LQKGHWPETZGAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14(19-17(24)15-7-5-4-6-8-15)13-16(23)21-9-11-22(12-10-21)18(25)20(2)3/h4-8,14H,9-13H2,1-3H3,(H,19,24).
What are the key properties of 4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 86981010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).