2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

C14H23ClN2O2 — CID 54592483

IUPAC2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1
InChIInChI=1S/C14H23ClN2O2/c1-11-3-2-6-17(10-11)14(19)12-4-7-16(8-5-12)13(18)9-15/h11-12H,2-10H2,1H3
InChIKeyDTQJNZRNZAYRLL-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.72
Rot. Bonds2

About 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 54592483) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID54592483
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCC1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1
InChIInChI=1S/C14H23ClN2O2/c1-11-3-2-6-17(10-11)14(19)12-4-7-16(8-5-12)13(18)9-15/h11-12H,2-10H2,1H3
InChIKeyDTQJNZRNZAYRLL-UHFFFAOYSA-N
XLogP1.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone (CID 54592483) is 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is CC1CCCN(C(=O)C2CCN(C(=O)CCl)CC2)C1.
What is the InChIKey of 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is DTQJNZRNZAYRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-11-3-2-6-17(10-11)14(19)12-4-7-16(8-5-12)13(18)9-15/h11-12H,2-10H2,1H3.
What are the key properties of 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone?
2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 286.80 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 54592483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).