N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide

C17H20Cl2N2O2 — CID 24654786

IUPACN-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)C2CC2(Cl)Cl)CC1
InChIInChI=1S/C17H20Cl2N2O2/c18-17(19)10-14(17)16(23)21-8-6-13(7-9-21)15(22)20-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,20,22)
InChIKeyRDDQUJCKXXBOOZ-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.74
Rot. Bonds4

About N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide

N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide (PubChem CID 24654786) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide
PubChem CID24654786
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC NameN-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)C2CC2(Cl)Cl)CC1
InChIInChI=1S/C17H20Cl2N2O2/c18-17(19)10-14(17)16(23)21-8-6-13(7-9-21)15(22)20-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,20,22)
InChIKeyRDDQUJCKXXBOOZ-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939
N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 99843263
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide
CID 120984003
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
CID 87024119
N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 78884991
1-(cyclopropanecarbonyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 31642647

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide (CID 24654786) is N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)C2CC2(Cl)Cl)CC1.
What is the InChIKey of N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide?
The InChIKey is RDDQUJCKXXBOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c18-17(19)10-14(17)16(23)21-8-6-13(7-9-21)15(22)20-11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,20,22).
What are the key properties of N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide?
N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide has a molecular weight of 355.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 24654786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).