(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

C23H37N3O — CID 26458414

IUPAC(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C23H37N3O/c1-3-25(4-2)23(27)21-11-8-15-26(19-21)22-13-17-24(18-14-22)16-12-20-9-6-5-7-10-20/h5-7,9-10,21-22H,3-4,8,11-19H2,1-2H3/t21-/m1/s1
InChIKeyZWRJMYNZLHVJCQ-OAQYLSRUSA-N
MW371.57 g/mol
LogP3.27
Rot. Bonds7

About (3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 26458414) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is (3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID26458414
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1
InChIInChI=1S/C23H37N3O/c1-3-25(4-2)23(27)21-11-8-15-26(19-21)22-13-17-24(18-14-22)16-12-20-9-6-5-7-10-20/h5-7,9-10,21-22H,3-4,8,11-19H2,1-2H3/t21-/m1/s1
InChIKeyZWRJMYNZLHVJCQ-OAQYLSRUSA-N
XLogP3.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
N-(2-methoxyethyl)-N-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56863904
(4-hydroxypiperidin-1-yl)-[(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95554424
(4-methylpiperidin-1-yl)-[(3R)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 26329649
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529
(3S)-N-cyclopropyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25298624
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 7047247
N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406
(3R)-N,N-diethyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95539498
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 26458414) is (3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN(C2CCN(CCc3ccccc3)CC2)C1.
What is the InChIKey of (3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is ZWRJMYNZLHVJCQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H37N3O/c1-3-25(4-2)23(27)21-11-8-15-26(19-21)22-13-17-24(18-14-22)16-12-20-9-6-5-7-10-20/h5-7,9-10,21-22H,3-4,8,11-19H2,1-2H3/t21-/m1/s1.
What are the key properties of (3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 371.57 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 26458414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).