2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

C17H21Cl2N3O2 — CID 78887514

IUPAC2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1)N1CCCC1
InChIInChI=1S/C17H21Cl2N3O2/c18-14-10-13(11-15(19)20-14)17(24)22-7-3-12(4-8-22)9-16(23)21-5-1-2-6-21/h10-12H,1-9H2
InChIKeyLZPLRWGPRJASIY-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.25
Rot. Bonds3

About 2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone

2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 78887514) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is 2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
PubChem CID78887514
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC Name2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1)N1CCCC1
InChIInChI=1S/C17H21Cl2N3O2/c18-14-10-13(11-15(19)20-14)17(24)22-7-3-12(4-8-22)9-16(23)21-5-1-2-6-21/h10-12H,1-9H2
InChIKeyLZPLRWGPRJASIY-UHFFFAOYSA-N
XLogP3.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78902470
2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 119735039
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 51082370
(2-amino-6-chloro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 62156377
[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186716
[4-(2,6-dichloropyridine-4-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 78878529
2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 53103375
(2-chloro-6-propan-2-yl-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 113379656
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
(2,6-dichloro-4-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955470

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone (CID 78887514) is 2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is O=C(CC1CCN(C(=O)c2cc(Cl)nc(Cl)c2)CC1)N1CCCC1.
What is the InChIKey of 2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is LZPLRWGPRJASIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O2/c18-14-10-13(11-15(19)20-14)17(24)22-7-3-12(4-8-22)9-16(23)21-5-1-2-6-21/h10-12H,1-9H2.
What are the key properties of 2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone?
2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 370.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 78887514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).