1-(adamantane-1-carbonyl)piperidine-3-carboxamide

C17H26N2O2 — CID 128950015

IUPAC1-(adamantane-1-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H26N2O2/c18-15(20)14-2-1-3-19(10-14)16(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14H,1-10H2,(H2,18,20)
InChIKeyJRQKBGYBMGHREC-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.93
Rot. Bonds2

About 1-(adamantane-1-carbonyl)piperidine-3-carboxamide

1-(adamantane-1-carbonyl)piperidine-3-carboxamide (PubChem CID 128950015) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)piperidine-3-carboxamide
PubChem CID128950015
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(adamantane-1-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H26N2O2/c18-15(20)14-2-1-3-19(10-14)16(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14H,1-10H2,(H2,18,20)
InChIKeyJRQKBGYBMGHREC-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-adamantyl(azepan-1-yl)methanone
CID 2838808
1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55035164
(3S)-1-(adamantane-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 27745511
(3S)-1-[2-(thietan-3-yl)acetyl]piperidine-3-carboxamide
CID 172908529
1-adamantyl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 75407812
1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 51969018
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 110204181
1-[(E)-C-aminocarbonohydrazonoyl]piperidine-3-carboxamide
CID 126972262
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
[4-[(3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]piperazin-1-yl]-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 98129534
1-adamantyl-[3-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80667233

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)piperidine-3-carboxamide (CID 128950015) is 1-(adamantane-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 1-(adamantane-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is JRQKBGYBMGHREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c18-15(20)14-2-1-3-19(10-14)16(21)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-14H,1-10H2,(H2,18,20).
What are the key properties of 1-(adamantane-1-carbonyl)piperidine-3-carboxamide?
1-(adamantane-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 128950015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).