N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide

C24H28FN3O2 — CID 154861020

IUPACN-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(NC1CCC(c2ccc(F)cc2)C1)C(=O)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C24H28FN3O2/c25-21-6-3-19(4-7-21)20-5-8-22(15-20)27-23(29)24(30)28-12-9-17(10-13-28)14-18-2-1-11-26-16-18/h1-4,6-7,11,16-17,20,22H,5,8-10,12-15H2,(H,27,29)
InChIKeyMNVRRMVRGWQYPE-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.45
Rot. Bonds4

About N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide

N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 154861020) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide
PubChem CID154861020
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(NC1CCC(c2ccc(F)cc2)C1)C(=O)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C24H28FN3O2/c25-21-6-3-19(4-7-21)20-5-8-22(15-20)27-23(29)24(30)28-12-9-17(10-13-28)14-18-2-1-11-26-16-18/h1-4,6-7,11,16-17,20,22H,5,8-10,12-15H2,(H,27,29)
InChIKeyMNVRRMVRGWQYPE-UHFFFAOYSA-N
XLogP3.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
2-[ethyl-[3-[[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122025740
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
3-(4-fluorophenyl)-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 43634317
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137057
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
(3S)-3-[(4-fluorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 95155477
1-[2-(4-fluorophenyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70715895
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide (CID 154861020) is N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide is O=C(NC1CCC(c2ccc(F)cc2)C1)C(=O)N1CCC(Cc2cccnc2)CC1.
What is the InChIKey of N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is MNVRRMVRGWQYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c25-21-6-3-19(4-7-21)20-5-8-22(15-20)27-23(29)24(30)28-12-9-17(10-13-28)14-18-2-1-11-26-16-18/h1-4,6-7,11,16-17,20,22H,5,8-10,12-15H2,(H,27,29).
What are the key properties of N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide?
N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 409.51 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 154861020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).