(3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide

C17H30N2O2 — CID 99862101

IUPAC(3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)N1CCC[C@@H](CO)C1)C2
InChIInChI=1S/C17H30N2O2/c1-16(2)13-6-7-17(16,3)14(9-13)18-15(21)19-8-4-5-12(10-19)11-20/h12-14,20H,4-11H2,1-3H3,(H,18,21)/t12-,13+,14+,17+/m1/s1
InChIKeyQNYTZMLBTUFEEN-FHIRATQRSA-N
MW294.44 g/mol
LogP2.62
Rot. Bonds2

About (3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide

(3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide (PubChem CID 99862101) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide
PubChem CID99862101
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)N1CCC[C@@H](CO)C1)C2
InChIInChI=1S/C17H30N2O2/c1-16(2)13-6-7-17(16,3)14(9-13)18-15(21)19-8-4-5-12(10-19)11-20/h12-14,20H,4-11H2,1-3H3,(H,18,21)/t12-,13+,14+,17+/m1/s1
InChIKeyQNYTZMLBTUFEEN-FHIRATQRSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-hydroxy-4-(trifluoromethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-1-carboxamide
CID 109971086
N-(2-bicyclo[2.2.1]heptanyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 24748474
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 60462803
1-Ethyl-1-(2-hydroxyethyl)-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 60481049
3-(hydroxymethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-1-carboxamide
CID 60481051
1-Butyl-1-(2-hydroxyethyl)-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 60481056
4-(2-bicyclo[2.2.1]heptanyl)-N-(5-hydroxy-4,4-dimethylpentyl)piperazine-1-carboxamide
CID 71857216
3-hydroxy-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-1-carboxamide
CID 71892989
1-Cyclopropyl-1-(2-hydroxyethyl)-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 71940579
3-(hydroxymethyl)-N-(2-propan-2-ylcyclohexyl)piperidine-1-carboxamide
CID 86768826
(3S)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
CID 95977753
(3S)-3-(hydroxymethyl)-N-[(1R,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
CID 95977755

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide (CID 99862101) is (3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide is CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)N1CCC[C@@H](CO)C1)C2.
What is the InChIKey of (3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide?
The InChIKey is QNYTZMLBTUFEEN-FHIRATQRSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-16(2)13-6-7-17(16,3)14(9-13)18-15(21)19-8-4-5-12(10-19)11-20/h12-14,20H,4-11H2,1-3H3,(H,18,21)/t12-,13+,14+,17+/m1/s1.
What are the key properties of (3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide?
(3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide is sourced from PubChem (CID 99862101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).