[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate

C20H27N3O5 — CID 87348398

IUPAC[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(C(=O)N2CCC(c3ccccc3)CC2)C(C(=O)NO)C1
InChIInChI=1S/C20H27N3O5/c21-20(26)28-15-6-7-16(17(12-15)18(24)22-27)19(25)23-10-8-14(9-11-23)13-4-2-1-3-5-13/h1-5,14-17,27H,6-12H2,(H2,21,26)(H,22,24)
InChIKeySPVPIJAOHCISCT-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.78
Rot. Bonds4

About [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate

[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate (PubChem CID 87348398) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate.

Molecular Properties

Compound Name[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate
PubChem CID87348398
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate
SMILESNC(=O)OC1CCC(C(=O)N2CCC(c3ccccc3)CC2)C(C(=O)NO)C1
InChIInChI=1S/C20H27N3O5/c21-20(26)28-15-6-7-16(17(12-15)18(24)22-27)19(25)23-10-8-14(9-11-23)13-4-2-1-3-5-13/h1-5,14-17,27H,6-12H2,(H2,21,26)(H,22,24)
InChIKeySPVPIJAOHCISCT-UHFFFAOYSA-N
XLogP1.78
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.78
H-Bond Donors ≤ 53
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] N,N-dimethylcarbamate
CID 87348582
[(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
4-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]-4-methylpiperazin-4-ium-1-carboxylic acid
CID 87999270
[(6S)-5-(hydroxycarbamoyl)-6-(4-phenylpiperidine-1-carbonyl)piperidin-3-yl] pyrrolidine-1-carboxylate
CID 87869915
[(1S,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N,N-dimethylcarbamate
CID 87348490
[(4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] pyrrolidine-1-carboxylate
CID 87872042
4-[(1R,3S,4S)-3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl]-4-methylpiperazin-4-ium-1-carboxylate
CID 87999269
(2S)-N-hydroxy-2-(4-phenylpiperidine-1-carbonyl)piperidine-3-carboxamide
CID 59117548
[3-(hydroxycarbamoyl)-4-(4-phenylpiperazine-1-carbonyl)cyclohexyl] N-cyclopentylcarbamate
CID 87348642
(1S,2S,5R)-N-hydroxy-5-(methanesulfonamido)-2-[(3R)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxamide
CID 87349129
oxolan-3-yl N-[3-(hydroxycarbamoyl)-4-(3-phenylpyrrolidine-1-carbonyl)cyclohexyl]-N-methylcarbamate
CID 72798589

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate?
The IUPAC name of [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate (CID 87348398) is [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate.
What is the SMILES notation for [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate?
The canonical SMILES for [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate is NC(=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] carbamate?
The InChIKey is SPVPIJAOHCISCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c21-20(26)28-15-6-7-16(17(12-15)18(24)22-27)19(25)23-10-8-14(9-11-23)13-4-2-1-3-5-13/h1-5,14-17,27H,6-12H2,(H2,21,26)(H,22,24).
What are the key properties of [3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate?
[3-(hydroxycarbamoyl)-4-(4-phenylpiperidine-1-carbonyl)cyclohexyl] carbamate has a molecular weight of 389.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 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] carbamate is sourced from PubChem (CID 87348398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).