N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide

C21H34N4O — CID 170949211

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide
SMILESCN1CCN(CCNC(=O)C2CC(CCc3ccccc3)CCN2)CC1
InChIInChI=1S/C21H34N4O/c1-24-13-15-25(16-14-24)12-11-23-21(26)20-17-19(9-10-22-20)8-7-18-5-3-2-4-6-18/h2-6,19-20,22H,7-17H2,1H3,(H,23,26)
InChIKeyXURJEVWYYAOVNW-UHFFFAOYSA-N
MW358.53 g/mol
LogP1.35
Rot. Bonds7

About N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide (PubChem CID 170949211) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide
PubChem CID170949211
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide
SMILESCN1CCN(CCNC(=O)C2CC(CCc3ccccc3)CCN2)CC1
InChIInChI=1S/C21H34N4O/c1-24-13-15-25(16-14-24)12-11-23-21(26)20-17-19(9-10-22-20)8-7-18-5-3-2-4-6-18/h2-6,19-20,22H,7-17H2,1H3,(H,23,26)
InChIKeyXURJEVWYYAOVNW-UHFFFAOYSA-N
XLogP1.35
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide 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-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide
CID 175865078
4-ethyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 114428071
N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 60717706
4-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 114427828
2-hydroxy-2-phenyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]acetamide
CID 142855670
4-ethyl-N-[2-(N-methylanilino)ethyl]piperidine-2-carboxamide
CID 114428740
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-2-carboxamide
CID 119850094
1-(3-phenylpropanoyl)-N-(2-piperazin-1-ylethyl)piperidine-4-carboxamide
CID 119444991
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 114428843

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide (CID 170949211) is N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide is CN1CCN(CCNC(=O)C2CC(CCc3ccccc3)CCN2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide?
The InChIKey is XURJEVWYYAOVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-24-13-15-25(16-14-24)12-11-23-21(26)20-17-19(9-10-22-20)8-7-18-5-3-2-4-6-18/h2-6,19-20,22H,7-17H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(2-phenylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 170949211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).