4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide

C26H39N3O3 — CID 86943396

IUPAC4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCc2cccc(OC3CCCCC3)c2)CC1)C1CCCCC1
InChIInChI=1S/C26H39N3O3/c30-25(21-9-3-1-4-10-21)28-22-14-16-29(17-15-22)26(31)27-19-20-8-7-13-24(18-20)32-23-11-5-2-6-12-23/h7-8,13,18,21-23H,1-6,9-12,14-17,19H2,(H,27,31)(H,28,30)
InChIKeyQJEZJFBANWEZIR-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.77
Rot. Bonds6

About 4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide

4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 86943396) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID86943396
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)NCc2cccc(OC3CCCCC3)c2)CC1)C1CCCCC1
InChIInChI=1S/C26H39N3O3/c30-25(21-9-3-1-4-10-21)28-22-14-16-29(17-15-22)26(31)27-19-20-8-7-13-24(18-20)32-23-11-5-2-6-12-23/h7-8,13,18,21-23H,1-6,9-12,14-17,19H2,(H,27,31)(H,28,30)
InChIKeyQJEZJFBANWEZIR-UHFFFAOYSA-N
XLogP4.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
N-benzyl-4-(cyclobutanecarbonylamino)piperidine-1-carboxamide
CID 110821711
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 154793860
1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 86943213
N-[(3-cyclopentyloxyphenyl)methyl]-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 84591482
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
N-[[3-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]methyl]cycloheptanecarboxamide
CID 86777165
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide (CID 86943396) is 4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide is O=C(NC1CCN(C(=O)NCc2cccc(OC3CCCCC3)c2)CC1)C1CCCCC1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is QJEZJFBANWEZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c30-25(21-9-3-1-4-10-21)28-22-14-16-29(17-15-22)26(31)27-19-20-8-7-13-24(18-20)32-23-11-5-2-6-12-23/h7-8,13,18,21-23H,1-6,9-12,14-17,19H2,(H,27,31)(H,28,30).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide?
4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 441.62 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(3-cyclohexyloxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 86943396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).