(2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide

C17H34N4O — CID 99858308

IUPAC(2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCCN1CCN([C@@H](C)CNC(=O)N2[C@H](C)CCC[C@@H]2C)CC1
InChIInChI=1S/C17H34N4O/c1-5-19-9-11-20(12-10-19)16(4)13-18-17(22)21-14(2)7-6-8-15(21)3/h14-16H,5-13H2,1-4H3,(H,18,22)/t14-,15+,16-/m0/s1
InChIKeyOAGIPANDPOOSSY-XHSDSOJGSA-N
MW310.49 g/mol
LogP1.98
Rot. Bonds4

About (2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide

(2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 99858308) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is (2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide
PubChem CID99858308
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name(2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCCN1CCN([C@@H](C)CNC(=O)N2[C@H](C)CCC[C@@H]2C)CC1
InChIInChI=1S/C17H34N4O/c1-5-19-9-11-20(12-10-19)16(4)13-18-17(22)21-14(2)7-6-8-15(21)3/h14-16H,5-13H2,1-4H3,(H,18,22)/t14-,15+,16-/m0/s1
InChIKeyOAGIPANDPOOSSY-XHSDSOJGSA-N
XLogP1.98
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide (CID 99858308) is (2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide is CCN1CCN([C@@H](C)CNC(=O)N2[C@H](C)CCC[C@@H]2C)CC1.
What is the InChIKey of (2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is OAGIPANDPOOSSY-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H34N4O/c1-5-19-9-11-20(12-10-19)16(4)13-18-17(22)21-14(2)7-6-8-15(21)3/h14-16H,5-13H2,1-4H3,(H,18,22)/t14-,15+,16-/m0/s1.
What are the key properties of (2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide?
(2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 99858308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).