cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide

C26H37ClN2O4 — CID 25174791

IUPACcis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide
SMILESCC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1
InChIInChI=1S/C26H37ClN2O4/c1-25(2)16-29(14-13-26(25,33)18-8-10-19(27)11-9-18)24(32)21-5-3-4-6-22(21)28-23(31)17-7-12-20(30)15-17/h8-11,17,20-22,30,33H,3-7,12-16H2,1-2H3,(H,28,31)/t17-,20+,21-,22+,26-/m0/s1
InChIKeyIZCBPWCTYXYCML-ZNVJHAHFSA-N
MW477.05 g/mol
LogP3.62
Rot. Bonds4

About cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide

cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide (PubChem CID 25174791) has the molecular formula C26H37ClN2O4 and a molecular weight of 477.05 g/mol. Its IUPAC name is cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide
PubChem CID25174791
Molecular FormulaC26H37ClN2O4
Molecular Weight477.05 g/mol
Exact Mass476.24
IUPAC Namecis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide
SMILESCC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1
InChIInChI=1S/C26H37ClN2O4/c1-25(2)16-29(14-13-26(25,33)18-8-10-19(27)11-9-18)24(32)21-5-3-4-6-22(21)28-23(31)17-7-12-20(30)15-17/h8-11,17,20-22,30,33H,3-7,12-16H2,1-2H3,(H,28,31)/t17-,20+,21-,22+,26-/m0/s1
InChIKeyIZCBPWCTYXYCML-ZNVJHAHFSA-N
XLogP3.62
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.05
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide (CID 25174791) is cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide is CC1(C)CN(C(=O)[C@H]2CCCC[C@H]2NC(=O)[C@H]2CC[C@@H](O)C2)CC[C@]1(O)c1ccc(Cl)cc1.
What is the InChIKey of cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide?
The InChIKey is IZCBPWCTYXYCML-ZNVJHAHFSA-N. The full InChI is InChI=1S/C26H37ClN2O4/c1-25(2)16-29(14-13-26(25,33)18-8-10-19(27)11-9-18)24(32)21-5-3-4-6-22(21)28-23(31)17-7-12-20(30)15-17/h8-11,17,20-22,30,33H,3-7,12-16H2,1-2H3,(H,28,31)/t17-,20+,21-,22+,26-/m0/s1.
What are the key properties of cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide?
cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide has a molecular weight of 477.05 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[(1R,2S)-2-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carbonyl]cyclohexyl]-3-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 25174791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).