[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone

C22H30N2O2 — CID 108972015

IUPAC[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H30N2O2/c25-20(23-13-5-2-6-14-23)22(11-12-22)21(26)24-15-9-19(10-16-24)17-18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2
InChIKeyIUBMESVXVKQBAH-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.26
Rot. Bonds4

About [1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone

[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone (PubChem CID 108972015) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is [1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
PubChem CID108972015
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H30N2O2/c25-20(23-13-5-2-6-14-23)22(11-12-22)21(26)24-15-9-19(10-16-24)17-18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2
InChIKeyIUBMESVXVKQBAH-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971633
(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone
CID 108979977
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidine-1-carbonyl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 108979998
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975819
1-(4-benzylpiperidine-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 108979982
1-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976967
1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
CID 108979992
1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108979983
1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 108980004
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956

Frequently Asked Questions

What is the IUPAC name of [1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone (CID 108972015) is [1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of [1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is IUBMESVXVKQBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-20(23-13-5-2-6-14-23)22(11-12-22)21(26)24-15-9-19(10-16-24)17-18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2.
What are the key properties of [1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone?
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 354.49 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-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 108972015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).