4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide

C32H32N4O2 — CID 143431944

IUPAC4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide
SMILESNc1ccc(C(=O)NCc2cccc(-c3cccc(C4CCN(C(=O)c5ccc(N)cc5)CC4)c3)c2)cc1
InChIInChI=1S/C32H32N4O2/c33-29-11-7-24(8-12-29)31(37)35-21-22-3-1-4-26(19-22)28-6-2-5-27(20-28)23-15-17-36(18-16-23)32(38)25-9-13-30(34)14-10-25/h1-14,19-20,23H,15-18,21,33-34H2,(H,35,37)
InChIKeySBTMIQPAFZEBFR-UHFFFAOYSA-N
MW504.63 g/mol
LogP5.47
Rot. Bonds6

About 4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide

4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide (PubChem CID 143431944) has the molecular formula C32H32N4O2 and a molecular weight of 504.63 g/mol. Its IUPAC name is 4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide
PubChem CID143431944
Molecular FormulaC32H32N4O2
Molecular Weight504.63 g/mol
Exact Mass504.25
IUPAC Name4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide
SMILESNc1ccc(C(=O)NCc2cccc(-c3cccc(C4CCN(C(=O)c5ccc(N)cc5)CC4)c3)c2)cc1
InChIInChI=1S/C32H32N4O2/c33-29-11-7-24(8-12-29)31(37)35-21-22-3-1-4-26(19-22)28-6-2-5-27(20-28)23-15-17-36(18-16-23)32(38)25-9-13-30(34)14-10-25/h1-14,19-20,23H,15-18,21,33-34H2,(H,35,37)
InChIKeySBTMIQPAFZEBFR-UHFFFAOYSA-N
XLogP5.47
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[1-(3-aminobenzoyl)piperidin-4-yl]phenyl]methyl]carbamate
CID 86725196
3-[[(4-aminobenzoyl)amino]methyl]benzoic acid
CID 61162089
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
(3,4-dihydroxyphenyl)-[4-[3-(ethylaminomethyl)phenyl]piperidin-1-yl]methanone
CID 163533823
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 46333935
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044864
[3-[1-[3-(2,3-dihydroxypropanoylamino)benzoyl]piperidin-4-yl]phenyl]methylcarbamic acid
CID 67116102

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide?
The IUPAC name of 4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide (CID 143431944) is 4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide is Nc1ccc(C(=O)NCc2cccc(-c3cccc(C4CCN(C(=O)c5ccc(N)cc5)CC4)c3)c2)cc1.
What is the InChIKey of 4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide?
The InChIKey is SBTMIQPAFZEBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O2/c33-29-11-7-24(8-12-29)31(37)35-21-22-3-1-4-26(19-22)28-6-2-5-27(20-28)23-15-17-36(18-16-23)32(38)25-9-13-30(34)14-10-25/h1-14,19-20,23H,15-18,21,33-34H2,(H,35,37).
What are the key properties of 4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide?
4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide has a molecular weight of 504.63 g/mol, XLogP of 5.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-[3-[1-(4-aminobenzoyl)piperidin-4-yl]phenyl]phenyl]methyl]benzamide is sourced from PubChem (CID 143431944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).