N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide

C29H33N3O2S — CID 3218498

IUPACN-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
SMILESO=C(N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C29H33N3O2S/c33-27(29-16-19-13-20(17-29)15-21(14-19)18-29)30-22-9-11-31(12-10-22)28(34)32-23-5-1-3-7-25(23)35-26-8-4-2-6-24(26)32/h1-8,19-22H,9-18H2,(H,30,33)
InChIKeyASFGBQZJSNSBTD-UHFFFAOYSA-N
MW487.67 g/mol
LogP6.21
Rot. Bonds2

About N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide

N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide (PubChem CID 3218498) has the molecular formula C29H33N3O2S and a molecular weight of 487.67 g/mol. Its IUPAC name is N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
PubChem CID3218498
Molecular FormulaC29H33N3O2S
Molecular Weight487.67 g/mol
Exact Mass487.23
IUPAC NameN-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
SMILESO=C(N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C29H33N3O2S/c33-27(29-16-19-13-20(17-29)15-21(14-19)18-29)30-22-9-11-31(12-10-22)28(34)32-23-5-1-3-7-25(23)35-26-8-4-2-6-24(26)32/h1-8,19-22H,9-18H2,(H,30,33)
InChIKeyASFGBQZJSNSBTD-UHFFFAOYSA-N
XLogP6.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.67
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]adamantane-1-carboxamide
CID 3218721
4-(adamantane-1-carbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218392
N-(1-adamantyl)phenothiazine-10-carboxamide
CID 3253193
4-[4-(adamantane-1-carbonylamino)piperidin-1-yl]benzoic acid
CID 57475024
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenylacetamide
CID 108551322
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555861
N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]adamantane-1-carboxamide
CID 3218536
N-[4-[dimethylamino(phenyl)methyl]cyclohexyl]adamantane-1-carboxamide
CID 140543011
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-4-bromobenzamide
CID 108550551
phenothiazin-10-yl-(2-phenyl-4,5-dihydroimidazol-3-ium-1-yl)methanone
CID 6974509
N-[3-oxo-3-[4-(2-phenylethyl)piperidin-1-yl]propyl]adamantane-1-carboxamide
CID 37033363
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-3-bromobenzamide
CID 108550938

Frequently Asked Questions

What is the IUPAC name of N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide (CID 3218498) is N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide is O=C(N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide?
The InChIKey is ASFGBQZJSNSBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2S/c33-27(29-16-19-13-20(17-29)15-21(14-19)18-29)30-22-9-11-31(12-10-22)28(34)32-23-5-1-3-7-25(23)35-26-8-4-2-6-24(26)32/h1-8,19-22H,9-18H2,(H,30,33).
What are the key properties of N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide?
N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide has a molecular weight of 487.67 g/mol, XLogP of 6.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide is sourced from PubChem (CID 3218498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).