(3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide

C18H30N2O — CID 81134526

IUPAC(3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)[C@H]1CCCNC1)(C3)C2
InChIInChI=1S/C18H30N2O/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)20-15(21)14-4-3-5-19-9-14/h13-14,19H,3-12H2,1-2H3,(H,20,21)/t13?,14-,16?,17?,18?/m0/s1
InChIKeyIPJPGZMTINLDRV-LPWALBEISA-N
MW290.45 g/mol
LogP2.85
Rot. Bonds2

About (3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide

(3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide (PubChem CID 81134526) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide
PubChem CID81134526
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)[C@H]1CCCNC1)(C3)C2
InChIInChI=1S/C18H30N2O/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)20-15(21)14-4-3-5-19-9-14/h13-14,19H,3-12H2,1-2H3,(H,20,21)/t13?,14-,16?,17?,18?/m0/s1
InChIKeyIPJPGZMTINLDRV-LPWALBEISA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 103966600
(3R)-N-(2,2,3,3-tetramethylcyclopropyl)piperidine-3-carboxamide
CID 81133413
N-(1-methylcyclopentyl)pyrrolidine-3-carboxamide
CID 63005620
ethane;(3R)-N-methylpiperidine-3-carboxamide
CID 145422305
N-(1-ethylcyclobutyl)piperidine-3-carboxamide
CID 115734414
ethane;piperidine-3-carbohydrazide
CID 143869941
N-(3,5-dimethyl-1-adamantyl)-2-iodoacetamide
CID 4606569
2-chloro-N-(3,5-dimethyl-1-adamantyl)propanamide
CID 79999964
1-[[(3R)-piperidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81139232
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-(3,5-dimethyl-1-adamantyl)adamantane-1-carboxamide
CID 171577279
1-[(3,5-dimethyl-1-adamantyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79987587

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide (CID 81134526) is (3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide is CC12CC3CC(C)(C1)CC(NC(=O)[C@H]1CCCNC1)(C3)C2.
What is the InChIKey of (3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide?
The InChIKey is IPJPGZMTINLDRV-LPWALBEISA-N. The full InChI is InChI=1S/C18H30N2O/c1-16-6-13-7-17(2,10-16)12-18(8-13,11-16)20-15(21)14-4-3-5-19-9-14/h13-14,19H,3-12H2,1-2H3,(H,20,21)/t13?,14-,16?,17?,18?/m0/s1.
What are the key properties of (3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide?
(3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3,5-dimethyl-1-adamantyl)piperidine-3-carboxamide is sourced from PubChem (CID 81134526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).