(2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide

C22H38N4O3 — CID 67358710

IUPAC(2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide
SMILESCC1CCC(N(C(=O)[C@@H]2CCCO2)[C@@H]2CN[C@H](C(=O)N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C22H38N4O3/c1-16-5-7-17(8-6-16)26(22(28)20-4-3-13-29-20)18-14-19(23-15-18)21(27)25-11-9-24(2)10-12-25/h16-20,23H,3-15H2,1-2H3/t16?,17?,18-,19-,20-/m0/s1
InChIKeyWXGNAISDFJPWPY-PWKSQPCKSA-N
MW406.57 g/mol
LogP1.08
Rot. Bonds4

About (2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide

(2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide (PubChem CID 67358710) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is (2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide
PubChem CID67358710
Molecular FormulaC22H38N4O3
Molecular Weight406.57 g/mol
Exact Mass406.29
IUPAC Name(2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide
SMILESCC1CCC(N(C(=O)[C@@H]2CCCO2)[C@@H]2CN[C@H](C(=O)N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C22H38N4O3/c1-16-5-7-17(8-6-16)26(22(28)20-4-3-13-29-20)18-14-19(23-15-18)21(27)25-11-9-24(2)10-12-25/h16-20,23H,3-15H2,1-2H3/t16?,17?,18-,19-,20-/m0/s1
InChIKeyWXGNAISDFJPWPY-PWKSQPCKSA-N
XLogP1.08
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-ethyl-N-({1-[(2R)-tetrahydrofuran-2-ylcarbonyl]piperidin-4-yl}methyl)pyrrolidine-2-carboxamide
CID 132424992
(2R)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopiperidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]oxolane-2-carboxamide
CID 164544119
N-methyl-2-[2-oxo-9-(oxolane-2-carbonyl)-1,9-diazaspiro[4.5]decan-1-yl]acetamide
CID 134070823
(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-1-ethylpyrrolidine-2-carboxamide
CID 66971006
(4S)-4-[(4,4-dimethylcyclohexyl)(tetrahydrofuran-2-ylcarbonyl)amino]-N-ethyl-L-prolineamide
CID 66971009
1-BOC-(2S,4S)-4-{(4,4-dimethylcyclohexyl)[(2S)-tetrahydrofuran-2-ylcarbonyl]amino}-2-[(ethylamino)carbonyl)pyrrolidine
CID 66971258
(2S,4S)-4-[(4,4-dimethylcyclohexyl)-(oxolane-2-carbonyl)amino]-N-ethyl-1-methylpyrrolidine-2-carboxamide
CID 66971287
(4S)-4-[(4,4-dimethylcyclohexyl)(tetrahydrofuran-2-ylcarbonyl)amino]-N-ethyl-N-m ethyl-L-prolineamide
CID 66971291
tert-butyl (2S,4S)-4-[(4-methylcyclohexyl)-[(2S)-oxolane-2-carbonyl]amino]-2-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 67357387
tert-butyl (2R,4S)-4-[(4,4-dimethylcyclohexyl)-[(2S)-oxolane-2-carbonyl]amino]-2-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carboxylate
CID 67357855
(2S)-N-(4,4-dimethylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide
CID 67357989
(2S)-N-(4,4-dimethylcyclohexyl)-N-[(3S,5R)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide
CID 67357995

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide (CID 67358710) is (2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide is CC1CCC(N(C(=O)[C@@H]2CCCO2)[C@@H]2CN[C@H](C(=O)N3CCN(C)CC3)C2)CC1.
What is the InChIKey of (2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
The InChIKey is WXGNAISDFJPWPY-PWKSQPCKSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-16-5-7-17(8-6-16)26(22(28)20-4-3-13-29-20)18-14-19(23-15-18)21(27)25-11-9-24(2)10-12-25/h16-20,23H,3-15H2,1-2H3/t16?,17?,18-,19-,20-/m0/s1.
What are the key properties of (2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide?
(2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methylcyclohexyl)-N-[(3S,5S)-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 67358710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).