N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide

C27H32N4O — CID 171354291

IUPACN-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N4O/c28-25-8-4-5-9-26(25)30-27(32)24-12-10-21(11-13-24)18-29-19-22-14-16-31(17-15-22)20-23-6-2-1-3-7-23/h1-13,22,29H,14-20,28H2,(H,30,32)
InChIKeyWFPGMCDLBDDLAZ-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.52
Rot. Bonds8

About N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide

N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide (PubChem CID 171354291) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
PubChem CID171354291
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H32N4O/c28-25-8-4-5-9-26(25)30-27(32)24-12-10-21(11-13-24)18-29-19-22-14-16-31(17-15-22)20-23-6-2-1-3-7-23/h1-13,22,29H,14-20,28H2,(H,30,32)
InChIKeyWFPGMCDLBDDLAZ-UHFFFAOYSA-N
XLogP4.52
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.52
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

4-[3-(2-aminoanilino)-3-oxopropyl]-N-[(1-benzylpiperidin-4-yl)methyl]benzamide
CID 171354343
N-(2-aminophenyl)-4-[[4-[[[(1S,2R)-2-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide
CID 169179893
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
(1-benzylpiperidin-4-yl)methyl N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
CID 21352738
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[[4-[[[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752368
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
N-(2-aminophenyl)-4-[[4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide
CID 137422540
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide
CID 163507029
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide (CID 171354291) is N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide?
The InChIKey is WFPGMCDLBDDLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c28-25-8-4-5-9-26(25)30-27(32)24-12-10-21(11-13-24)18-29-19-22-14-16-31(17-15-22)20-23-6-2-1-3-7-23/h1-13,22,29H,14-20,28H2,(H,30,32).
What are the key properties of N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 171354291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).