(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide

C17H26N2O2 — CID 100569886

IUPAC(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1
InChIInChI=1S/C17H26N2O2/c20-16(18-14-5-6-14)13-2-1-7-19(10-13)17(21)15-9-11-3-4-12(15)8-11/h11-15H,1-10H2,(H,18,20)/t11-,12-,13+,15-/m0/s1
InChIKeyQZYFRHLXTMCEOB-XPCVCDNBSA-N
MW290.41 g/mol
LogP1.94
Rot. Bonds3

About (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide

(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 100569886) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID100569886
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1
InChIInChI=1S/C17H26N2O2/c20-16(18-14-5-6-14)13-2-1-7-19(10-13)17(21)15-9-11-3-4-12(15)8-11/h11-15H,1-10H2,(H,18,20)/t11-,12-,13+,15-/m0/s1
InChIKeyQZYFRHLXTMCEOB-XPCVCDNBSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide with MolForge

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Related Compounds

[(3S)-1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 129377734
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate
CID 81344758
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 55930745
(1S,2S,4S)-N-cyclopropylbicyclo[2.2.1]heptane-2-carboxamide
CID 7302454
1-(bicyclo[2.2.1]heptane-2-carbonyl)pyrrolidine-3-carboxamide
CID 56813699
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide
CID 98763074
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 124728643
N-cyclopropyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344179

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide (CID 100569886) is (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1.
What is the InChIKey of (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is QZYFRHLXTMCEOB-XPCVCDNBSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-16(18-14-5-6-14)13-2-1-7-19(10-13)17(21)15-9-11-3-4-12(15)8-11/h11-15H,1-10H2,(H,18,20)/t11-,12-,13+,15-/m0/s1.
What are the key properties of (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide?
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 100569886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).