1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide

C14H18ClN3O2 — CID 108898738

IUPAC1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3O2/c15-12-3-1-2-10(8-12)9-17-14(20)18-6-4-11(5-7-18)13(16)19/h1-3,8,11H,4-7,9H2,(H2,16,19)(H,17,20)
InChIKeyMAHYEUWMFVRNFZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.75
Rot. Bonds3

About 1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide

1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 108898738) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID108898738
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3O2/c15-12-3-1-2-10(8-12)9-17-14(20)18-6-4-11(5-7-18)13(16)19/h1-3,8,11H,4-7,9H2,(H2,16,19)(H,17,20)
InChIKeyMAHYEUWMFVRNFZ-UHFFFAOYSA-N
XLogP1.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
N-[(3-chlorophenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 110301174
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
1-[4-[[N-[(3-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111176425
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031
N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108898698
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
1-[(3-ethylsulfanylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015109
N-[(3-chlorophenyl)methyl]-4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxamide
CID 25468861
4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 23587403

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide (CID 108898738) is 1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)NCc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is MAHYEUWMFVRNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-12-3-1-2-10(8-12)9-17-14(20)18-6-4-11(5-7-18)13(16)19/h1-3,8,11H,4-7,9H2,(H2,16,19)(H,17,20).
What are the key properties of 1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide?
1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 108898738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).