1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one

C21H30N2O2 — CID 95297085

IUPAC1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2Cc2ccccc2)C1
InChIInChI=1S/C21H30N2O2/c1-2-20(24)22-13-8-11-18(16-22)21(25)23-14-7-6-12-19(23)15-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3/t18-,19-/m1/s1
InChIKeyAAGKJMCKQYNRDG-RTBURBONSA-N
MW342.48 g/mol
LogP3.26
Rot. Bonds4

About 1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one

1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 95297085) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID95297085
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2Cc2ccccc2)C1
InChIInChI=1S/C21H30N2O2/c1-2-20(24)22-13-8-11-18(16-22)21(25)23-14-7-6-12-19(23)15-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3/t18-,19-/m1/s1
InChIKeyAAGKJMCKQYNRDG-RTBURBONSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[(3S)-3-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 95341284
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119469695
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
methyl 2-benzylazepane-1-carboxylate
CID 102314657
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
2-(2-benzylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 119183550
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 119632537

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 95297085) is 1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2Cc2ccccc2)C1.
What is the InChIKey of 1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is AAGKJMCKQYNRDG-RTBURBONSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-2-20(24)22-13-8-11-18(16-22)21(25)23-14-7-6-12-19(23)15-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3/t18-,19-/m1/s1.
What are the key properties of 1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one?
1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 342.48 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(2R)-2-benzylpiperidine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95297085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).