[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate

C22H31N3O5 — CID 87348582

IUPAC[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1CCC(C(=O)N2CCC(c3ccccc3)CC2)C(C(=O)NO)C1
InChIInChI=1S/C22H31N3O5/c1-24(2)22(28)30-17-8-9-18(19(14-17)20(26)23-29)21(27)25-12-10-16(11-13-25)15-6-4-3-5-7-15/h3-7,16-19,29H,8-14H2,1-2H3,(H,23,26)
InChIKeyKQXJMVRQNUDFAW-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.38
Rot. Bonds4

About [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate

[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate (PubChem CID 87348582) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate
PubChem CID87348582
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Name[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1CCC(C(=O)N2CCC(c3ccccc3)CC2)C(C(=O)NO)C1
InChIInChI=1S/C22H31N3O5/c1-24(2)22(28)30-17-8-9-18(19(14-17)20(26)23-29)21(27)25-12-10-16(11-13-25)15-6-4-3-5-7-15/h3-7,16-19,29H,8-14H2,1-2H3,(H,23,26)
InChIKeyKQXJMVRQNUDFAW-UHFFFAOYSA-N
XLogP2.38
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate
CID 87348398
[(1S,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate
CID 87348490
[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]carbamic acid
CID 90884756
[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]-propan-2-ylcarbamic acid
CID 91597305
oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate
CID 72798589
4-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]-4-methylpiperazin-4-ium-1-carboxylic acid
CID 87999270
4-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]-4-methylpiperazin-4-ium-1-carboxylate
CID 87999269
[(6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperidine-1-carbonyl)piperidin-3-yl] pyrrolidine-1-carboxylate
CID 87869915
[(4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] pyrrolidine-1-carboxylate
CID 87872042
(1S,2S,5R)-N-hydroxy-5-(methanesulfonamido)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide
CID 87349129
(2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
CID 59117548
(2S,3S,5S)-N-hydroxy-1-methyl-2-(4-phenylpiperidine-1-carbonyl)-5-pyridin-2-yloxypiperidine-3-carboxamide
CID 87348918

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate (CID 87348582) is [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate is CN(C)C(=O)OC1CCC(C(=O)N2CCC(c3ccccc3)CC2)C(C(=O)NO)C1.
What is the InChIKey of [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate?
The InChIKey is KQXJMVRQNUDFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-24(2)22(28)30-17-8-9-18(19(14-17)20(26)23-29)21(27)25-12-10-16(11-13-25)15-6-4-3-5-7-15/h3-7,16-19,29H,8-14H2,1-2H3,(H,23,26).
What are the key properties of [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate?
[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate has a molecular weight of 417.51 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate is sourced from PubChem (CID 87348582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).