N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide

C18H30N2O — CID 108870375

IUPACN-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O/c1-13-4-2-3-5-20(13)17(21)19-12-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3,(H,19,21)
InChIKeyMGTTXCLXOQUKKH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.79
Rot. Bonds2

About N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide

N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide (PubChem CID 108870375) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide
PubChem CID108870375
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H30N2O/c1-13-4-2-3-5-20(13)17(21)19-12-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3,(H,19,21)
InChIKeyMGTTXCLXOQUKKH-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-adamantylmethyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583065
N-(1-adamantyl)-2-methylpiperidine-1-carboxamide
CID 2981068
1-adamantyl-(2-methylpiperidin-1-yl)methanone
CID 2896597
N-(cyclohexylmethyl)-2-methylpiperidine-1-carboxamide
CID 108902901
4-[[(2-methylazepane-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440562
2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 130614788
S-(2-methylpiperidin-1-yl) 2-(1-adamantyl)ethanethioate
CID 101090817
N-butan-2-yl-2-methylpiperidine-1-carboxamide
CID 45366573
1-adamantyl-(2-methylpyrrolidin-1-yl)methanone
CID 110728183
tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
CID 95321341
3-(1-adamantylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108870291
(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96543593

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide (CID 108870375) is N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide is CC1CCCCN1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide?
The InChIKey is MGTTXCLXOQUKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13-4-2-3-5-20(13)17(21)19-12-18-9-14-6-15(10-18)8-16(7-14)11-18/h13-16H,2-12H2,1H3,(H,19,21).
What are the key properties of N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide?
N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 108870375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).