(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide

C21H27N3O — CID 9047076

IUPAC(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C21H27N3O/c1-16(21(25)22-19-9-10-19)24-13-11-23(12-14-24)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,16,19H,9-15H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyBVUNNNZOYFLTSS-INIZCTEOSA-N
MW337.47 g/mol
LogP2.62
Rot. Bonds5

About (2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide

(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 9047076) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
PubChem CID9047076
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C21H27N3O/c1-16(21(25)22-19-9-10-19)24-13-11-23(12-14-24)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,16,19H,9-15H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyBVUNNNZOYFLTSS-INIZCTEOSA-N
XLogP2.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]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)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46514218
(2S)-N-(methylcarbamoyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047038
N-(2-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 18282245
(2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide
CID 95975224
N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide
CID 43043050
(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30625134
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 30636587
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide (CID 9047076) is (2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)NC1CC1)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is BVUNNNZOYFLTSS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16(21(25)22-19-9-10-19)24-13-11-23(12-14-24)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-8,16,19H,9-15H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide?
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 337.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9047076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).