N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide

C23H29N3O2 — CID 110634314

IUPACN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc(C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-18(19-6-4-3-5-7-19)16-23(28)24-21-10-8-20(9-11-21)22(27)17-26-14-12-25(2)13-15-26/h3-11,18H,12-17H2,1-2H3,(H,24,28)
InChIKeyPGRABBCURCIDKF-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.25
Rot. Bonds7

About N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide

N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide (PubChem CID 110634314) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide
PubChem CID110634314
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide
SMILESCC(CC(=O)Nc1ccc(C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-18(19-6-4-3-5-7-19)16-23(28)24-21-10-8-20(9-11-21)22(27)17-26-14-12-25(2)13-15-26/h3-11,18H,12-17H2,1-2H3,(H,24,28)
InChIKeyPGRABBCURCIDKF-UHFFFAOYSA-N
XLogP3.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylpropanamide
CID 110314943
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-2-phenoxyacetamide
CID 110314944
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide
CID 110314912
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
(E)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbut-2-enamide
CID 110312545
(3S)-3-phenyl-N-(4-phenylphenyl)butanamide
CID 7925945
N,N-dimethyl-4-[[(3S)-3-phenylbutanoyl]amino]benzamide
CID 8698353
1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-3-phenylbutan-1-one
CID 110421382
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]cyclohexanecarboxamide
CID 110314916
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
CID 110614350

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide (CID 110634314) is N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide is CC(CC(=O)Nc1ccc(C(=O)CN2CCN(C)CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide?
The InChIKey is PGRABBCURCIDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(19-6-4-3-5-7-19)16-23(28)24-21-10-8-20(9-11-21)22(27)17-26-14-12-25(2)13-15-26/h3-11,18H,12-17H2,1-2H3,(H,24,28).
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide?
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide has a molecular weight of 379.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]-3-phenylbutanamide is sourced from PubChem (CID 110634314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).