4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

C22H34N4O3 — CID 93221209

IUPAC4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN([C@@H](C(=O)NC(C)C)C3CCCC3)CC2)cc1
InChIInChI=1S/C22H34N4O3/c1-16(2)23-21(27)20(17-6-4-5-7-17)25-12-14-26(15-13-25)22(28)24-18-8-10-19(29-3)11-9-18/h8-11,16-17,20H,4-7,12-15H2,1-3H3,(H,23,27)(H,24,28)/t20-/m1/s1
InChIKeyRWWOOVMTUWSEGG-HXUWFJFHSA-N
MW402.54 g/mol
LogP2.93
Rot. Bonds6

About 4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide

4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 93221209) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID93221209
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN([C@@H](C(=O)NC(C)C)C3CCCC3)CC2)cc1
InChIInChI=1S/C22H34N4O3/c1-16(2)23-21(27)20(17-6-4-5-7-17)25-12-14-26(15-13-25)22(28)24-18-8-10-19(29-3)11-9-18/h8-11,16-17,20H,4-7,12-15H2,1-3H3,(H,23,27)(H,24,28)/t20-/m1/s1
InChIKeyRWWOOVMTUWSEGG-HXUWFJFHSA-N
XLogP2.93
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-[(1S)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221214
4-[1-cyclopentyl-2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 46027265
4-[(1S)-1-cyclopentyl-2-(furan-2-ylmethylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221172
4-[1-cyclopentyl-2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperazine-1-carboxamide
CID 46027235
4-[(1R)-1-cyclopentyl-2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221296
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 93222166
2-cyclopentyl-N-(3,4-dimethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 42843651
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723
4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221291
1-N-(4-methoxyphenyl)-4-N-methyl-1,4-diazepane-1,4-dicarboxamide
CID 23800038

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide (CID 93221209) is 4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN([C@@H](C(=O)NC(C)C)C3CCCC3)CC2)cc1.
What is the InChIKey of 4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is RWWOOVMTUWSEGG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-16(2)23-21(27)20(17-6-4-5-7-17)25-12-14-26(15-13-25)22(28)24-18-8-10-19(29-3)11-9-18/h8-11,16-17,20H,4-7,12-15H2,1-3H3,(H,23,27)(H,24,28)/t20-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide?
4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 93221209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).