1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

C28H35N3O2 — CID 166328161

IUPAC1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(C2CCN(C(=O)c3ccc(C4CCCC4)cc3)C2)C1
InChIInChI=1S/C28H35N3O2/c32-27(17-21-5-3-14-29-18-21)30-15-4-8-25(19-30)26-13-16-31(20-26)28(33)24-11-9-23(10-12-24)22-6-1-2-7-22/h3,5,9-12,14,18,22,25-26H,1-2,4,6-8,13,15-17,19-20H2
InChIKeyZIIDKZFCJDOFPH-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.68
Rot. Bonds5

About 1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 166328161) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID166328161
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(C2CCN(C(=O)c3ccc(C4CCCC4)cc3)C2)C1
InChIInChI=1S/C28H35N3O2/c32-27(17-21-5-3-14-29-18-21)30-15-4-8-25(19-30)26-13-16-31(20-26)28(33)24-11-9-23(10-12-24)22-6-1-2-7-22/h3,5,9-12,14,18,22,25-26H,1-2,4,6-8,13,15-17,19-20H2
InChIKeyZIIDKZFCJDOFPH-UHFFFAOYSA-N
XLogP4.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

1-[3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 166328159
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-(4-cyclobutylphenyl)-2-pyridin-3-ylethanone
CID 116505569
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192172
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
(4-cyclopropylphenyl)-(3-pyrrolidin-3-ylpiperidin-1-yl)methanone
CID 154865644
1-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192805
1-[3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 119064677
1-[3-[1-(3,7-dimethyl-1H-indole-2-carbonyl)azepan-3-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 167855396
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45225552

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (CID 166328161) is 1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCCC(C2CCN(C(=O)c3ccc(C4CCCC4)cc3)C2)C1.
What is the InChIKey of 1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is ZIIDKZFCJDOFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c32-27(17-21-5-3-14-29-18-21)30-15-4-8-25(19-30)26-13-16-31(20-26)28(33)24-11-9-23(10-12-24)22-6-1-2-7-22/h3,5,9-12,14,18,22,25-26H,1-2,4,6-8,13,15-17,19-20H2.
What are the key properties of 1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 445.61 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-cyclopentylbenzoyl)pyrrolidin-3-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 166328161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).