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

C27H37N5O2 — CID 42843458

IUPAC4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(C(C(=O)NCc3ccncc3)C3CCCC3)CC2)cc1
InChIInChI=1S/C27H37N5O2/c1-20(2)22-7-9-24(10-8-22)30-27(34)32-17-15-31(16-18-32)25(23-5-3-4-6-23)26(33)29-19-21-11-13-28-14-12-21/h7-14,20,23,25H,3-6,15-19H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyVJOQLQLMZZRMQF-UHFFFAOYSA-N
MW463.63 g/mol
LogP4.23
Rot. Bonds7

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

4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 42843458) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID42843458
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC Name4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(C(C(=O)NCc3ccncc3)C3CCCC3)CC2)cc1
InChIInChI=1S/C27H37N5O2/c1-20(2)22-7-9-24(10-8-22)30-27(34)32-17-15-31(16-18-32)25(23-5-3-4-6-23)26(33)29-19-21-11-13-28-14-12-21/h7-14,20,23,25H,3-6,15-19H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyVJOQLQLMZZRMQF-UHFFFAOYSA-N
XLogP4.23
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.23
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
4-[1-cyclopentyl-2-(diethylamino)-2-oxoethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 46027294
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842420
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-4-ylmethyl)acetamide
CID 93208855
4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 46027247
ethyl 4-[4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperazin-1-yl]-4-oxobutanoate
CID 42842419
2-cyclopentyl-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 42842421
4-[(1R)-1-cyclopentyl-2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221296
4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221291
2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46027571
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-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide
CID 46027235

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 42843458) is 4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(C(C(=O)NCc3ccncc3)C3CCCC3)CC2)cc1.
What is the InChIKey of 4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is VJOQLQLMZZRMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-20(2)22-7-9-24(10-8-22)30-27(34)32-17-15-31(16-18-32)25(23-5-3-4-6-23)26(33)29-19-21-11-13-28-14-12-21/h7-14,20,23,25H,3-6,15-19H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of 4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 463.63 g/mol, XLogP of 4.23, 7 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-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 42843458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).