N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C16H28N2O2 — CID 110896638

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCC1CC2CCC1C2)N1CCC(CO)CC1
InChIInChI=1S/C16H28N2O2/c19-11-12-4-7-18(8-5-12)16(20)17-6-3-15-10-13-1-2-14(15)9-13/h12-15,19H,1-11H2,(H,17,20)
InChIKeyOJGOGJAVVKARLB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.23
Rot. Bonds4

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110896638) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110896638
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCCC1CC2CCC1C2)N1CCC(CO)CC1
InChIInChI=1S/C16H28N2O2/c19-11-12-4-7-18(8-5-12)16(20)17-6-3-15-10-13-1-2-14(15)9-13/h12-15,19H,1-11H2,(H,17,20)
InChIKeyOJGOGJAVVKARLB-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-N-pyridin-2-ylpiperidine-1,4-dicarboxamide
CID 98845659
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111735861
(2S)-N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 98786217
[8-(hydroxymethyl)-4-bicyclo[5.2.1]decanyl]methanol
CID 66848084
N-(4,4-dimethylpentyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111444336
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735957
ethyl 1-[N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157139
3-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]-N-methylpropanamide
CID 71938759
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454649
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301419
N-(2-cycloheptyloxyethyl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111428421

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 110896638) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCCC1CC2CCC1C2)N1CCC(CO)CC1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is OJGOGJAVVKARLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-11-12-4-7-18(8-5-12)16(20)17-6-3-15-10-13-1-2-14(15)9-13/h12-15,19H,1-11H2,(H,17,20).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110896638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).