1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide

C12H15Cl2N3O — CID 104969517

IUPAC1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C12H15Cl2N3O/c13-10-2-1-9(11(14)16-10)7-17-5-3-8(4-6-17)12(15)18/h1-2,8H,3-7H2,(H2,15,18)
InChIKeyUGOOPTITRFLAJV-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.09
Rot. Bonds3

About 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide

1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 104969517) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID104969517
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccc(Cl)nc2Cl)CC1
InChIInChI=1S/C12H15Cl2N3O/c13-10-2-1-9(11(14)16-10)7-17-5-3-8(4-6-17)12(15)18/h1-2,8H,3-7H2,(H2,15,18)
InChIKeyUGOOPTITRFLAJV-UHFFFAOYSA-N
XLogP2.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol
CID 106993424
[1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-yl]methanol
CID 106993477
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 106993824
1-[(2,6-dichloro-3-pyridinyl)methyl]-4-methylazepane
CID 106993775
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708
ethyl 4-[(2,6-dichloro-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 107260719
1-[(4-carbamothioyl-2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 102666009
ethyl (3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 106995037
N-(cyclopropylmethyl)-1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-amine
CID 106994959
1-[4-[(2,6-dichloro-3-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 106993660

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide (CID 104969517) is 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2ccc(Cl)nc2Cl)CC1.
What is the InChIKey of 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is UGOOPTITRFLAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c13-10-2-1-9(11(14)16-10)7-17-5-3-8(4-6-17)12(15)18/h1-2,8H,3-7H2,(H2,15,18).
What are the key properties of 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide?
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 288.18 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 104969517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).