N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide

C24H30N2O — CID 19908315

IUPACN-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C24H30N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-6,16-17,19-20,22H,7-15H2,(H,25,27)
InChIKeyDUODZCMEHSVISH-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.58
Rot. Bonds1

About N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide

N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide (PubChem CID 19908315) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide
PubChem CID19908315
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC NameN-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C24H30N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-6,16-17,19-20,22H,7-15H2,(H,25,27)
InChIKeyDUODZCMEHSVISH-UHFFFAOYSA-N
XLogP4.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Adamantyl)-3-(3-phenylpropyl)urea
CID 2982952
N-(adamantan-2-yl)-2,3-dihydrospiro[indene-1,4''-piperidine]-1''-carboxamide
CID 25064398
N-(2-adamantyl)-1,3-dihydrospiro[indene-2,3'-piperidine]-1'-carboxamide
CID 46231489
1,1-diethyl-3-[(2R,4R,7R)-6-methyl-6-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraen-4-yl]urea
CID 44275766
3-Benzyl-piperidine-1-carboxylic acid adamantan-2-ylamide
CID 46231437
N-(2-adamantyl)-3-phenylpiperidine-1-carboxamide
CID 46231440
N-(2-adamantyl)-4-phenylpiperidine-1-carboxamide
CID 46231441
1-(2-Adamantyl)-3-(2-phenylethyl)urea
CID 23582678
4-methyl-N-[3-(4-methylphenyl)-1-adamantyl]-1-piperazinecarboxamide
CID 2946759
1-Adamantan-1-yl-3-{3-[4-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 44295543
N-(2-adamantyl)-2-benzylpiperidine-1-carboxamide
CID 46231390
4-Benzyl-piperidine-1-carboxylic acid adamantan-2-ylamide
CID 46231438

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide (CID 19908315) is N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide?
The InChIKey is DUODZCMEHSVISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c27-23(25-22-19-12-16-11-17(14-19)15-20(22)13-16)26-9-7-24(8-10-26)6-5-18-3-1-2-4-21(18)24/h1-6,16-17,19-20,22H,7-15H2,(H,25,27).
What are the key properties of N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide?
N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)spiro[indene-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 19908315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).