4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide

C34H40N4O4 — CID 98292724

IUPAC4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2C(=O)N2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C34H40N4O4/c1-3-29(25-10-6-4-7-11-25)33(40)38-22-20-36(21-23-38)31-17-14-27(24-30(31)34(41)37-18-8-5-9-19-37)35-32(39)26-12-15-28(42-2)16-13-26/h4,6-7,10-17,24,29H,3,5,8-9,18-23H2,1-2H3,(H,35,39)/t29-/m1/s1
InChIKeySZJPAJWGYSBJDF-GDLZYMKVSA-N
MW568.72 g/mol
LogP5.42
Rot. Bonds8

About 4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide

4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 98292724) has the molecular formula C34H40N4O4 and a molecular weight of 568.72 g/mol. Its IUPAC name is 4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID98292724
Molecular FormulaC34H40N4O4
Molecular Weight568.72 g/mol
Exact Mass568.30
IUPAC Name4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2C(=O)N2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C34H40N4O4/c1-3-29(25-10-6-4-7-11-25)33(40)38-22-20-36(21-23-38)31-17-14-27(24-30(31)34(41)37-18-8-5-9-19-37)35-32(39)26-12-15-28(42-2)16-13-26/h4,6-7,10-17,24,29H,3,5,8-9,18-23H2,1-2H3,(H,35,39)/t29-/m1/s1
InChIKeySZJPAJWGYSBJDF-GDLZYMKVSA-N
XLogP5.42
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 98338176
3-fluoro-N-[4-[4-(2-phenylbutanoyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42671961
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 42678422
3-methyl-N-[4-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 93139472
N-[4-[4-[(2S)-2-phenylbutanoyl]-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 93144697
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 42672561
5-[(4-methoxybenzoyl)amino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4302536
3-methoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42678385
N-[(4-fluorophenyl)methyl]-5-[(3-methoxybenzoyl)amino]-2-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]benzamide
CID 98198614
N-[(4-fluorophenyl)methyl]-5-[(3-methoxybenzoyl)amino]-2-[4-[(2S)-2-phenylbutanoyl]piperazin-1-yl]benzamide
CID 98198612
5-benzamido-N-benzyl-N-methyl-2-[4-[(2R)-2-phenylbutanoyl]-1,4-diazepan-1-yl]benzamide
CID 98337892
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-4-methoxybenzamide
CID 3888477

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide (CID 98292724) is 4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide is CC[C@@H](C(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2C(=O)N2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of 4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is SZJPAJWGYSBJDF-GDLZYMKVSA-N. The full InChI is InChI=1S/C34H40N4O4/c1-3-29(25-10-6-4-7-11-25)33(40)38-22-20-36(21-23-38)31-17-14-27(24-30(31)34(41)37-18-8-5-9-19-37)35-32(39)26-12-15-28(42-2)16-13-26/h4,6-7,10-17,24,29H,3,5,8-9,18-23H2,1-2H3,(H,35,39)/t29-/m1/s1.
What are the key properties of 4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide?
4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 568.72 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[4-[(2R)-2-phenylbutanoyl]piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 98292724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).