4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

C24H32N4O4 — CID 93221172

IUPAC4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN([C@H](C(=O)NCc3ccco3)C3CCCC3)CC2)cc1
InChIInChI=1S/C24H32N4O4/c1-31-20-10-8-19(9-11-20)26-24(30)28-14-12-27(13-15-28)22(18-5-2-3-6-18)23(29)25-17-21-7-4-16-32-21/h4,7-11,16,18,22H,2-3,5-6,12-15,17H2,1H3,(H,25,29)(H,26,30)/t22-/m0/s1
InChIKeyVPNHIERQGBBAAF-QFIPXVFZSA-N
MW440.54 g/mol
LogP3.31
Rot. Bonds7

About 4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 93221172) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID93221172
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN([C@H](C(=O)NCc3ccco3)C3CCCC3)CC2)cc1
InChIInChI=1S/C24H32N4O4/c1-31-20-10-8-19(9-11-20)26-24(30)28-14-12-27(13-15-28)22(18-5-2-3-6-18)23(29)25-17-21-7-4-16-32-21/h4,7-11,16,18,22H,2-3,5-6,12-15,17H2,1H3,(H,25,29)(H,26,30)/t22-/m0/s1
InChIKeyVPNHIERQGBBAAF-QFIPXVFZSA-N
XLogP3.31
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-[(1R)-1-cyclopentyl-2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221296
4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221209
4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46027265
(2R)-2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]acetamide
CID 93209043
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 42842453
2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 42842454
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 46024261
N-(furan-2-ylmethyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55578958
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-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 42843458
4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 46027247
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 93221172) is 4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN([C@H](C(=O)NCc3ccco3)C3CCCC3)CC2)cc1.
What is the InChIKey of 4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is VPNHIERQGBBAAF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-31-20-10-8-19(9-11-20)26-24(30)28-14-12-27(13-15-28)22(18-5-2-3-6-18)23(29)25-17-21-7-4-16-32-21/h4,7-11,16,18,22H,2-3,5-6,12-15,17H2,1H3,(H,25,29)(H,26,30)/t22-/m0/s1.
What are the key properties of 4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 93221172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).