N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide

C16H20Cl2N2O — CID 24654457

IUPACN-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CC1(Cl)Cl
InChIInChI=1S/C16H20Cl2N2O/c17-16(18)10-14(16)15(21)19-13-6-8-20(9-7-13)11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,19,21)
InChIKeyROAKOJPZCODBQM-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.96
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide

N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide (PubChem CID 24654457) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
PubChem CID24654457
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CC1(Cl)Cl
InChIInChI=1S/C16H20Cl2N2O/c17-16(18)10-14(16)15(21)19-13-6-8-20(9-7-13)11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,19,21)
InChIKeyROAKOJPZCODBQM-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.96
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-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 136579148
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
(1R,4S)-3-[(1-benzylpiperidin-4-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 59351961
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide (CID 24654457) is N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CC1(Cl)Cl.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide?
The InChIKey is ROAKOJPZCODBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-16(18)10-14(16)15(21)19-13-6-8-20(9-7-13)11-12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,19,21).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide?
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide has a molecular weight of 327.25 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 N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide is sourced from PubChem (CID 24654457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).