(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide

C18H30N2O2 — CID 96543593

IUPAC(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](CO)C1
InChIInChI=1S/C18H30N2O2/c21-11-13-2-1-3-20(10-13)17(22)19-12-18-7-14-4-15(8-18)6-16(5-14)9-18/h13-16,21H,1-12H2,(H,19,22)/t13-,14?,15?,16?,18?/m0/s1
InChIKeyQKLCPAZLCZVMIS-IILDEKEXSA-N
MW306.45 g/mol
LogP2.62
Rot. Bonds3

About (3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide

(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 96543593) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID96543593
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](CO)C1
InChIInChI=1S/C18H30N2O2/c21-11-13-2-1-3-20(10-13)17(22)19-12-18-7-14-4-15(8-18)6-16(5-14)9-18/h13-16,21H,1-12H2,(H,19,22)/t13-,14?,15?,16?,18?/m0/s1
InChIKeyQKLCPAZLCZVMIS-IILDEKEXSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[2-(1-adamantyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96543595
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517
N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide
CID 8669555
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
ethyl 4-(1-adamantylmethylcarbamoyl)piperazine-1-carboxylate
CID 22110836
1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81162733
N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide
CID 108870375
(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481
(3R)-3-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-carboxamide
CID 99773486
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 96543593) is (3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)N1CCC[C@H](CO)C1.
What is the InChIKey of (3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is QKLCPAZLCZVMIS-IILDEKEXSA-N. The full InChI is InChI=1S/C18H30N2O2/c21-11-13-2-1-3-20(10-13)17(22)19-12-18-7-14-4-15(8-18)6-16(5-14)9-18/h13-16,21H,1-12H2,(H,19,22)/t13-,14?,15?,16?,18?/m0/s1.
What are the key properties of (3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
(3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-adamantylmethyl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 96543593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).