N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide

C22H29N3O2 — CID 110284554

IUPACN-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)CN2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-18(23-22(26)20-9-6-10-21(15-20)27-2)16-24-11-13-25(14-12-24)17-19-7-4-3-5-8-19/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyKBPYFYVZUPFLCD-SFHVURJKSA-N
MW367.49 g/mol
LogP2.63
Rot. Bonds7

About N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide

N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide (PubChem CID 110284554) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
PubChem CID110284554
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](C)CN2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-18(23-22(26)20-9-6-10-21(15-20)27-2)16-24-11-13-25(14-12-24)17-19-7-4-3-5-8-19/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyKBPYFYVZUPFLCD-SFHVURJKSA-N
XLogP2.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide 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

N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
4-[(4-benzylpiperazin-1-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 1362665
N-butan-2-yl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 42850796
2-(4-benzylpiperazin-1-yl)-N-[1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 4162502
N-(1-chloro-3-phenylpropan-2-yl)-3-methoxybenzamide
CID 74554915
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
3-(3-ethylphenyl)-N-[(2S)-1-(4-ethylpiperazin-1-yl)propan-2-yl]benzamide
CID 156752452
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide (CID 110284554) is N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@@H](C)CN2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide?
The InChIKey is KBPYFYVZUPFLCD-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18(23-22(26)20-9-6-10-21(15-20)27-2)16-24-11-13-25(14-12-24)17-19-7-4-3-5-8-19/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide?
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide has a molecular weight of 367.49 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 110284554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).