N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide

C27H32N2O3 — CID 87949376

IUPACN-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide
SMILESO=C(C1=CCOO1)N(c1ccccc1)C1CCN(C2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C27H32N2O3/c30-27(26-17-20-31-32-26)29(22-11-5-2-6-12-22)23-15-18-28(19-16-23)25-14-8-7-13-24(25)21-9-3-1-4-10-21/h1-6,9-12,17,23-25H,7-8,13-16,18-20H2
InChIKeyHNPULQIAFUEOGT-UHFFFAOYSA-N
MW432.56 g/mol
LogP5.06
Rot. Bonds5

About N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide

N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide (PubChem CID 87949376) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide
PubChem CID87949376
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC NameN-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide
SMILESO=C(C1=CCOO1)N(c1ccccc1)C1CCN(C2CCCCC2c2ccccc2)CC1
InChIInChI=1S/C27H32N2O3/c30-27(26-17-20-31-32-26)29(22-11-5-2-6-12-22)23-15-18-28(19-16-23)25-14-8-7-13-24(25)21-9-3-1-4-10-21/h1-6,9-12,17,23-25H,7-8,13-16,18-20H2
InChIKeyHNPULQIAFUEOGT-UHFFFAOYSA-N
XLogP5.06
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzamide
CID 91480833
2-methyl-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91172689
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 90736407
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91233195
N-(4-chlorophenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91353172
3,4-dichloro-N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91312760
N-(3,5-dimethylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91468186
3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91137183
3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91125540
3,4-dichloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91128636
5-chloro-N-[3-(dimethylamino)phenyl]-1-methyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 91391061
N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide
CID 91306761

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide?
The IUPAC name of N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide (CID 87949376) is N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide.
What is the SMILES notation for N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide?
The canonical SMILES for N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide is O=C(C1=CCOO1)N(c1ccccc1)C1CCN(C2CCCCC2c2ccccc2)CC1.
What is the InChIKey of N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide?
The InChIKey is HNPULQIAFUEOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c30-27(26-17-20-31-32-26)29(22-11-5-2-6-12-22)23-15-18-28(19-16-23)25-14-8-7-13-24(25)21-9-3-1-4-10-21/h1-6,9-12,17,23-25H,7-8,13-16,18-20H2.
What are the key properties of N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide?
N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide has a molecular weight of 432.56 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]-3H-dioxole-5-carboxamide is sourced from PubChem (CID 87949376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).