(2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide

C20H27N5O — CID 119902638

IUPAC(2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-2-18(21)20(26)23-17-8-6-16(7-9-17)15-24-11-13-25(14-12-24)19-5-3-4-10-22-19/h3-10,18H,2,11-15,21H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyTVURKEZZNJTCNR-SFHVURJKSA-N
MW353.47 g/mol
LogP2.08
Rot. Bonds6

About (2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide

(2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide (PubChem CID 119902638) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide
PubChem CID119902638
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name(2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H27N5O/c1-2-18(21)20(26)23-17-8-6-16(7-9-17)15-24-11-13-25(14-12-24)19-5-3-4-10-22-19/h3-10,18H,2,11-15,21H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyTVURKEZZNJTCNR-SFHVURJKSA-N
XLogP2.08
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide 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-chlorophenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
CID 171824774
(4-methoxyphenyl)methyl N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]carbamate
CID 171824521
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
2-butyl-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]-1-benzofuran-3-carboxamide
CID 167847342
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607
2-amino-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 43704585
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide
CID 86941603
N-[4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 122157779
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
(2R)-N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 92987360

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide (CID 119902638) is (2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide is CC[C@H](N)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide?
The InChIKey is TVURKEZZNJTCNR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-18(21)20(26)23-17-8-6-16(7-9-17)15-24-11-13-25(14-12-24)19-5-3-4-10-22-19/h3-10,18H,2,11-15,21H2,1H3,(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide?
(2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide has a molecular weight of 353.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 119902638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).