4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

C23H35FN4O2 — CID 93221291

IUPAC4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H35FN4O2/c1-3-17(2)16-25-22(29)21(18-6-4-5-7-18)27-12-14-28(15-13-27)23(30)26-20-10-8-19(24)9-11-20/h8-11,17-18,21H,3-7,12-16H2,1-2H3,(H,25,29)(H,26,30)/t17-,21-/m1/s1
InChIKeyHVCKVPVXVSGICV-DYESRHJHSA-N
MW418.56 g/mol
LogP3.70
Rot. Bonds7

About 4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 93221291) has the molecular formula C23H35FN4O2 and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID93221291
Molecular FormulaC23H35FN4O2
Molecular Weight418.56 g/mol
Exact Mass418.27
IUPAC Name4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H35FN4O2/c1-3-17(2)16-25-22(29)21(18-6-4-5-7-18)27-12-14-28(15-13-27)23(30)26-20-10-8-19(24)9-11-20/h8-11,17-18,21H,3-7,12-16H2,1-2H3,(H,25,29)(H,26,30)/t17-,21-/m1/s1
InChIKeyHVCKVPVXVSGICV-DYESRHJHSA-N
XLogP3.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)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
2-cyclopentyl-2-[4-[(4-fluorophenyl)carbamothioyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 42843543
(2S)-2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[(2R)-2-methylbutyl]acetamide
CID 93209974
(2R)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
CID 93209950
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylbutyl)acetamide
CID 46024494
4-[1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 46027247
(2S)-2-cyclopentyl-2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-N-[(2S)-2-methylbutyl]acetamide
CID 93210041
2-cyclopentyl-N-(2-methylbutyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 42842614
(2R)-2-cyclopentyl-N-[(2R)-2-methylbutyl]-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210016
4-[(1R)-1-cyclopentyl-2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221296
4-[1-cyclopentyl-2-(diethylamino)-2-oxoethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 46027294
4-[1-cyclopentyl-2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 42843458

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 93221291) is 4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is CC[C@@H](C)CNC(=O)[C@@H](C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is HVCKVPVXVSGICV-DYESRHJHSA-N. The full InChI is InChI=1S/C23H35FN4O2/c1-3-17(2)16-25-22(29)21(18-6-4-5-7-18)27-12-14-28(15-13-27)23(30)26-20-10-8-19(24)9-11-20/h8-11,17-18,21H,3-7,12-16H2,1-2H3,(H,25,29)(H,26,30)/t17-,21-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclopentyl-2-[[(2R)-2-methylbutyl]amino]-2-oxoethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 93221291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).