(3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide

C16H22N2O3 — CID 100866451

IUPAC(3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C16H22N2O3/c1-21-15-7-3-2-6-12(15)13-9-14(13)17-16(20)18-8-4-5-11(19)10-18/h2-3,6-7,11,13-14,19H,4-5,8-10H2,1H3,(H,17,20)/t11-,13+,14+/m1/s1
InChIKeyVSNGJUOKLLSRIV-XBFCOCLRSA-N
MW290.36 g/mol
LogP1.72
Rot. Bonds3

About (3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide

(3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide (PubChem CID 100866451) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide
PubChem CID100866451
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C16H22N2O3/c1-21-15-7-3-2-6-12(15)13-9-14(13)17-16(20)18-8-4-5-11(19)10-18/h2-3,6-7,11,13-14,19H,4-5,8-10H2,1H3,(H,17,20)/t11-,13+,14+/m1/s1
InChIKeyVSNGJUOKLLSRIV-XBFCOCLRSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]piperidine-1-carboxamide
CID 110903329
3-hydroxy-N-(2-methoxycyclohexyl)piperidine-1-carboxamide
CID 111508397
N-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypiperidine-1-carboxamide
CID 110882685
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]urea
CID 124850518
3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
CID 110882568
dimethyl (1R,4S,5S,7R)-5-hydroxy-7-(2-methoxyphenyl)cycloheptane-1,4-dicarboxylate
CID 15761619
3-hydroxy-N-(2-propylcyclopropyl)piperidine-1-carboxamide
CID 111509409
N-(5-cyano-2-methoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 49286927
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
1-[(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
CID 124734117
N-(2-bromo-4,5-dimethoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 60569756
(3-hydroxypiperidin-1-yl)-(2-methoxy-6-nitrophenyl)methanone
CID 81421108

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide (CID 100866451) is (3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide is COc1ccccc1[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide?
The InChIKey is VSNGJUOKLLSRIV-XBFCOCLRSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-15-7-3-2-6-12(15)13-9-14(13)17-16(20)18-8-4-5-11(19)10-18/h2-3,6-7,11,13-14,19H,4-5,8-10H2,1H3,(H,17,20)/t11-,13+,14+/m1/s1.
What are the key properties of (3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide?
(3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 100866451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).