(2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide

C16H26N4O — CID 120873876

IUPAC(2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide
SMILESCC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)N)c2)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)19-7-9-20(10-8-19)15-6-4-5-14(11-15)18-16(21)13(3)17/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyNSQNDMHOVHHMSQ-CYBMUJFWSA-N
MW290.41 g/mol
LogP1.50
Rot. Bonds4

About (2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide

(2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide (PubChem CID 120873876) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide
PubChem CID120873876
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide
SMILESCC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)N)c2)CC1
InChIInChI=1S/C16H26N4O/c1-12(2)19-7-9-20(10-8-19)15-6-4-5-14(11-15)18-16(21)13(3)17/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyNSQNDMHOVHHMSQ-CYBMUJFWSA-N
XLogP1.50
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide 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

(2R)-2-amino-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]propanamide;trihydrochloride
CID 119902669
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
(2S)-2-amino-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3-methylbutanamide
CID 119863677
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
(2R)-2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
CID 119289907
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide (CID 120873876) is (2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide is CC(C)N1CCN(c2cccc(NC(=O)[C@@H](C)N)c2)CC1.
What is the InChIKey of (2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is NSQNDMHOVHHMSQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)19-7-9-20(10-8-19)15-6-4-5-14(11-15)18-16(21)13(3)17/h4-6,11-13H,7-10,17H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide?
(2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 120873876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).