[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone

C23H26ClN3O2 — CID 134799605

IUPAC[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H26ClN3O2/c24-21-7-6-20(16-25-21)23(29)27-14-10-19(11-15-27)22(28)26-12-8-18(9-13-26)17-4-2-1-3-5-17/h1-7,16,18-19H,8-15H2
InChIKeyGCSFUMHDLZJGAP-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.99
Rot. Bonds3

About [1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone

[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 134799605) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is [1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID134799605
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H26ClN3O2/c24-21-7-6-20(16-25-21)23(29)27-14-10-19(11-15-27)22(28)26-12-8-18(9-13-26)17-4-2-1-3-5-17/h1-7,16,18-19H,8-15H2
InChIKeyGCSFUMHDLZJGAP-UHFFFAOYSA-N
XLogP3.99
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-3-pyridinyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61045525
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
(6-chloro-3-pyridinyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53150688
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 63869549
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 61052707
[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95205942
(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040
(6-chloro-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55209897
5-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-2-pyridin-2-yl-4H-1,2,4-triazol-3-one
CID 137291269
(6-chloro-3-pyridinyl)-(3-hydroxyazetidin-1-yl)methanone
CID 63106950
[(3S)-3-aminopyrrolidin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 129415328
2-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 47290627

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone (CID 134799605) is [1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone is O=C(c1ccc(Cl)nc1)N1CCC(C(=O)N2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of [1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is GCSFUMHDLZJGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-21-7-6-20(16-25-21)23(29)27-14-10-19(11-15-27)22(28)26-12-8-18(9-13-26)17-4-2-1-3-5-17/h1-7,16,18-19H,8-15H2.
What are the key properties of [1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 411.93 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 134799605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).