N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide

C24H29N3O3 — CID 54218707

IUPACN-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide
SMILESCOC=CC(=O)Nc1ccc(C(=O)N2CCC(N(C)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N3O3/c1-26(18-19-6-4-3-5-7-19)22-12-15-27(16-13-22)24(29)20-8-10-21(11-9-20)25-23(28)14-17-30-2/h3-11,14,17,22H,12-13,15-16,18H2,1-2H3,(H,25,28)
InChIKeyQBAAWPKDTKVSCU-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.52
Rot. Bonds7

About N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide

N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide (PubChem CID 54218707) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide
PubChem CID54218707
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide
SMILESCOC=CC(=O)Nc1ccc(C(=O)N2CCC(N(C)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H29N3O3/c1-26(18-19-6-4-3-5-7-19)22-12-15-27(16-13-22)24(29)20-8-10-21(11-9-20)25-23(28)14-17-30-2/h3-11,14,17,22H,12-13,15-16,18H2,1-2H3,(H,25,28)
InChIKeyQBAAWPKDTKVSCU-UHFFFAOYSA-N
XLogP3.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide 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

1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
3-[4-[[(1-acetylpiperidin-4-yl)-methylamino]methyl]phenyl]-N-[4-(4-chlorophenyl)phenyl]prop-2-enamide
CID 76581252
N-(4-acetylphenyl)-2-[4-[benzyl(methyl)amino]azepan-1-yl]propanamide
CID 71844271
(2S)-N-(4-acetylphenyl)-2-[(4R)-4-[benzyl(methyl)amino]azepan-1-yl]propanamide
CID 100868482
N-(1-benzoylpiperidin-4-yl)-N-methylacetamide
CID 166180751
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 23284910
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 56516489
(E)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-thiophen-2-ylprop-2-enamide
CID 17179761

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide?
The IUPAC name of N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide (CID 54218707) is N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide.
What is the SMILES notation for N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide?
The canonical SMILES for N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide is COC=CC(=O)Nc1ccc(C(=O)N2CCC(N(C)Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide?
The InChIKey is QBAAWPKDTKVSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-26(18-19-6-4-3-5-7-19)22-12-15-27(16-13-22)24(29)20-8-10-21(11-9-20)25-23(28)14-17-30-2/h3-11,14,17,22H,12-13,15-16,18H2,1-2H3,(H,25,28).
What are the key properties of N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide?
N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide has a molecular weight of 407.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[benzyl(methyl)amino]piperidine-1-carbonyl]phenyl]-3-methoxyprop-2-enamide is sourced from PubChem (CID 54218707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).