[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone

C16H21Cl2N3O — CID 166600860

IUPAC[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(c2ncc(Cl)cc2Cl)C1)N1CCCCC1
InChIInChI=1S/C16H21Cl2N3O/c17-13-9-14(18)15(19-10-13)21-8-4-5-12(11-21)16(22)20-6-2-1-3-7-20/h9-10,12H,1-8,11H2
InChIKeyUYQWCCWREXDWPQ-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.62
Rot. Bonds2

About [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone

[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 166600860) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID166600860
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(c2ncc(Cl)cc2Cl)C1)N1CCCCC1
InChIInChI=1S/C16H21Cl2N3O/c17-13-9-14(18)15(19-10-13)21-8-4-5-12(11-21)16(22)20-6-2-1-3-7-20/h9-10,12H,1-8,11H2
InChIKeyUYQWCCWREXDWPQ-UHFFFAOYSA-N
XLogP3.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{4-[4-(3-Chloro-pyridin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CID 13771024
2-Chloro-1-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-1-one
CID 735808
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 90654575
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
CID 4328595
[6-(5-Chloro-pyridin-2-ylamino)-pyridin-3-yl]-piperidin-1-yl-methanone
CID 23725388
1-[5-[2-(5-Chloro-3-pyridinyl)ethynyl]-2-pyridinyl]-4,4-dimethylpiperidin-2-one
CID 53493633
N-(4-chlorophenyl)-1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 71768330
N-(4-Chlorophenyl)-1-(5-chloropyridin-2-yl)-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 71768335
US9650358, Example 131
CID 137796551
{1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl}(4-methylpiperazino)methanone
CID 2766912
1,2-Bis{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-1-ethanone
CID 3695829
8-(5-Chloro-3-fluoropyridin-2-yl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70722298

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 166600860) is [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone is O=C(C1CCCN(c2ncc(Cl)cc2Cl)C1)N1CCCCC1.
What is the InChIKey of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is UYQWCCWREXDWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O/c17-13-9-14(18)15(19-10-13)21-8-4-5-12(11-21)16(22)20-6-2-1-3-7-20/h9-10,12H,1-8,11H2.
What are the key properties of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone?
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 342.27 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 166600860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).