4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide

C23H37N3O2 — CID 3218392

IUPAC4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C23H37N3O2/c27-21(23-13-16-10-17(14-23)12-18(11-16)15-23)24-20-6-8-26(9-7-20)22(28)25-19-4-2-1-3-5-19/h16-20H,1-15H2,(H,24,27)(H,25,28)
InChIKeyVXJOKRIQCFKXRS-UHFFFAOYSA-N
MW387.57 g/mol
LogP3.83
Rot. Bonds3

About 4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide

4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 3218392) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide
PubChem CID3218392
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C23H37N3O2/c27-21(23-13-16-10-17(14-23)12-18(11-16)15-23)24-20-6-8-26(9-7-20)22(28)25-19-4-2-1-3-5-19/h16-20H,1-15H2,(H,24,27)(H,25,28)
InChIKeyVXJOKRIQCFKXRS-UHFFFAOYSA-N
XLogP3.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide (CID 3218392) is 4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is VXJOKRIQCFKXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c27-21(23-13-16-10-17(14-23)12-18(11-16)15-23)24-20-6-8-26(9-7-20)22(28)25-19-4-2-1-3-5-19/h16-20H,1-15H2,(H,24,27)(H,25,28).
What are the key properties of 4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide?
4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 3218392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).