(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone

C24H34N2O2 — CID 108979977

IUPAC(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone
SMILESCCC1CCCCN1C(=O)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H34N2O2/c1-2-21-10-6-7-15-26(21)23(28)24(13-14-24)22(27)25-16-11-20(12-17-25)18-19-8-4-3-5-9-19/h3-5,8-9,20-21H,2,6-7,10-18H2,1H3
InChIKeyLSOYLPZCKAXQGM-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.04
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone

(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone (PubChem CID 108979977) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone
PubChem CID108979977
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone
SMILESCCC1CCCCN1C(=O)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H34N2O2/c1-2-21-10-6-7-15-26(21)23(28)24(13-14-24)22(27)25-16-11-20(12-17-25)18-19-8-4-3-5-9-19/h3-5,8-9,20-21H,2,6-7,10-18H2,1H3
InChIKeyLSOYLPZCKAXQGM-UHFFFAOYSA-N
XLogP4.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.04
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
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972015
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 108978161
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 108972390
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974951
1-(4-benzylpiperidine-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 108979982
1-(4-benzylpiperidine-1-carbonyl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 108979998
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108980069
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 124838955

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone (CID 108979977) is (4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone is CCC1CCCCN1C(=O)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone?
The InChIKey is LSOYLPZCKAXQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-2-21-10-6-7-15-26(21)23(28)24(13-14-24)22(27)25-16-11-20(12-17-25)18-19-8-4-3-5-9-19/h3-5,8-9,20-21H,2,6-7,10-18H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone?
(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone has a molecular weight of 382.55 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone is sourced from PubChem (CID 108979977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).