(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide

C21H29N5O — CID 51726510

IUPAC(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCC(C)c1ccc(CN2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)cc1
InChIInChI=1S/C21H29N5O/c1-16(2)19-7-5-18(6-8-19)15-25-11-13-26(14-12-25)17(3)20(27)24-21-22-9-4-10-23-21/h4-10,16-17H,11-15H2,1-3H3,(H,22,23,24,27)/t17-/m0/s1
InChIKeyHILMMVHSMHWIFE-KRWDZBQOSA-N
MW367.50 g/mol
LogP2.74
Rot. Bonds6

About (2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide

(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide (PubChem CID 51726510) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is (2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
PubChem CID51726510
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
SMILESCC(C)c1ccc(CN2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)cc1
InChIInChI=1S/C21H29N5O/c1-16(2)19-7-5-18(6-8-19)15-25-11-13-26(14-12-25)17(3)20(27)24-21-22-9-4-10-23-21/h4-10,16-17H,11-15H2,1-3H3,(H,22,23,24,27)/t17-/m0/s1
InChIKeyHILMMVHSMHWIFE-KRWDZBQOSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide 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)-N-(2-methoxyphenyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300414
(2S)-N-(methylcarbamoyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanamide
CID 9300430
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 78833853
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 46663177
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 55541544
N-(2-chlorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470341
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
2-(4-benzylpiperazin-1-yl)propanehydrazide
CID 63569395
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The IUPAC name of (2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide (CID 51726510) is (2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for (2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide is CC(C)c1ccc(CN2CCN([C@@H](C)C(=O)Nc3ncccn3)CC2)cc1.
What is the InChIKey of (2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
The InChIKey is HILMMVHSMHWIFE-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16(2)19-7-5-18(6-8-19)15-25-11-13-26(14-12-25)17(3)20(27)24-21-22-9-4-10-23-21/h4-10,16-17H,11-15H2,1-3H3,(H,22,23,24,27)/t17-/m0/s1.
What are the key properties of (2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide?
(2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide has a molecular weight of 367.50 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 51726510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).