N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

C14H18Cl2N2O2 — CID 24748436

IUPACN-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCCC(CO)C1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-4-3-11(13(16)6-12)7-17-14(20)18-5-1-2-10(8-18)9-19/h3-4,6,10,19H,1-2,5,7-9H2,(H,17,20)
InChIKeyJQHJFQCYKHLGJD-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.91
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 24748436) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID24748436
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCCC(CO)C1
InChIInChI=1S/C14H18Cl2N2O2/c15-12-4-3-11(13(16)6-12)7-17-14(20)18-5-1-2-10(8-18)9-19/h3-4,6,10,19H,1-2,5,7-9H2,(H,17,20)
InChIKeyJQHJFQCYKHLGJD-UHFFFAOYSA-N
XLogP2.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 24748436) is N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCCC(CO)C1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is JQHJFQCYKHLGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-12-4-3-11(13(16)6-12)7-17-14(20)18-5-1-2-10(8-18)9-19/h3-4,6,10,19H,1-2,5,7-9H2,(H,17,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 24748436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).