(3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide

C19H23ClN2O2 — CID 124728643

IUPAC(3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)C1
InChIInChI=1S/C19H23ClN2O2/c20-17-6-2-1-5-14(17)15-10-16(15)19(24)22-9-3-4-12(11-22)18(23)21-13-7-8-13/h1-2,5-6,12-13,15-16H,3-4,7-11H2,(H,21,23)/t12-,15+,16+/m1/s1
InChIKeyFCMRYSREWQNVSY-KCXAZCMYSA-N
MW346.86 g/mol
LogP2.96
Rot. Bonds4

About (3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide

(3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 124728643) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID124728643
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)C1
InChIInChI=1S/C19H23ClN2O2/c20-17-6-2-1-5-14(17)15-10-16(15)19(24)22-9-3-4-12(11-22)18(23)21-13-7-8-13/h1-2,5-6,12-13,15-16H,3-4,7-11H2,(H,21,23)/t12-,15+,16+/m1/s1
InChIKeyFCMRYSREWQNVSY-KCXAZCMYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 75405699
2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51295287
3-[(3S)-1-[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 98887374
[(3R)-1-[(1S,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 100857908
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 84588684
[2-(2-chlorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022801
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129427272
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 100569886
[2-(2-chlorophenyl)cyclopropyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120997781
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanone
CID 124691738

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide (CID 124728643) is (3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide is O=C(NC1CC1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is FCMRYSREWQNVSY-KCXAZCMYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-17-6-2-1-5-14(17)15-10-16(15)19(24)22-9-3-4-12(11-22)18(23)21-13-7-8-13/h1-2,5-6,12-13,15-16H,3-4,7-11H2,(H,21,23)/t12-,15+,16+/m1/s1.
What are the key properties of (3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide?
(3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 124728643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).