4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

C24H30FN5O2 — CID 46027247

IUPAC4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccn1)C(C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FN5O2/c25-19-8-10-20(11-9-19)28-24(32)30-15-13-29(14-16-30)22(18-5-1-2-6-18)23(31)27-17-21-7-3-4-12-26-21/h3-4,7-12,18,22H,1-2,5-6,13-17H2,(H,27,31)(H,28,32)
InChIKeyQQEKBCSNTJRACA-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.25
Rot. Bonds6

About 4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 46027247) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID46027247
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccn1)C(C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FN5O2/c25-19-8-10-20(11-9-19)28-24(32)30-15-13-29(14-16-30)22(18-5-1-2-6-18)23(31)27-17-21-7-3-4-12-26-21/h3-4,7-12,18,22H,1-2,5-6,13-17H2,(H,27,31)(H,28,32)
InChIKeyQQEKBCSNTJRACA-UHFFFAOYSA-N
XLogP3.25
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 93221257
(2R)-2-cyclopentyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 93209571
4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221291
4-[(1S)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221214
4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 42843458
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-(2-pyridin-2-ylethyl)acetamide
CID 42842428
2-cyclopentyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46024433
4-[(1R)-1-cyclopentyl-2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221296
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 111109548
2-cyclopentyl-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 42843543
4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46027265

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 46027247) is 4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is O=C(NCc1ccccn1)C(C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is QQEKBCSNTJRACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c25-19-8-10-20(11-9-19)28-24(32)30-15-13-29(14-16-30)22(18-5-1-2-6-18)23(31)27-17-21-7-3-4-12-26-21/h3-4,7-12,18,22H,1-2,5-6,13-17H2,(H,27,31)(H,28,32).
What are the key properties of 4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46027247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).