1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

C16H22Cl2N2O — CID 53284560

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)19-16(21)12-5-7-20(8-6-12)10-13-3-4-14(17)9-15(13)18/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyMQGVZJSGJLQEPM-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.73
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 53284560) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID53284560
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)19-16(21)12-5-7-20(8-6-12)10-13-3-4-14(17)9-15(13)18/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,21)
InChIKeyMQGVZJSGJLQEPM-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(2,6-dichlorophenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 53284560) is 1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is MQGVZJSGJLQEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-11(2)19-16(21)12-5-7-20(8-6-12)10-13-3-4-14(17)9-15(13)18/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,21).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 53284560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).