(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide

C16H18Cl2N2O2 — CID 98760990

IUPAC(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H18Cl2N2O2/c17-13-4-3-9(6-14(13)18)11-7-12(11)16(22)20-5-1-2-10(8-20)15(19)21/h3-4,6,10-12H,1-2,5,7-8H2,(H2,19,21)/t10-,11-,12+/m1/s1
InChIKeyOGEZULVERHEXQN-UTUOFQBUSA-N
MW341.24 g/mol
LogP2.82
Rot. Bonds3

About (3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide

(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide (PubChem CID 98760990) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is (3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
PubChem CID98760990
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H18Cl2N2O2/c17-13-4-3-9(6-14(13)18)11-7-12(11)16(22)20-5-1-2-10(8-20)15(19)21/h3-4,6,10-12H,1-2,5,7-8H2,(H2,19,21)/t10-,11-,12+/m1/s1
InChIKeyOGEZULVERHEXQN-UTUOFQBUSA-N
XLogP2.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623000
[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623002
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539791
(3R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125132949
1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167741
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 120747860
1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidine-3-carboxamide
CID 18159123
(3S,4S)-1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951480
1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251874

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide (CID 98760990) is (3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The InChIKey is OGEZULVERHEXQN-UTUOFQBUSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c17-13-4-3-9(6-14(13)18)11-7-12(11)16(22)20-5-1-2-10(8-20)15(19)21/h3-4,6,10-12H,1-2,5,7-8H2,(H2,19,21)/t10-,11-,12+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide has a molecular weight of 341.24 g/mol, XLogP of 2.82, 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)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 98760990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).