1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide

C14H18ClN3O2 — CID 47124151

IUPAC1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-17(2)13(19)10-4-7-18(8-5-10)14(20)11-3-6-16-12(15)9-11/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyDIQLIWMRXNXQJI-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.68
Rot. Bonds2

About 1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide

1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 47124151) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID47124151
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-17(2)13(19)10-4-7-18(8-5-10)14(20)11-3-6-16-12(15)9-11/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyDIQLIWMRXNXQJI-UHFFFAOYSA-N
XLogP1.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.68
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

1-(2-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61292738
(2-chloro-4-pyridinyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 89194471
1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 60637345
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
(2-chloro-4-pyridinyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 103857585
(4-tert-butylpiperazin-1-yl)-(2-chloro-4-pyridinyl)methanone
CID 61073425
2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
1-(2-amino-5-chlorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61106212
(2-chloro-4-pyridinyl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63657797
2-[(3S,4S)-1-(2-chloropyridine-4-carbonyl)-3-ethylpiperidin-4-yl]-N,N-diethylacetamide
CID 163072541

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (CID 47124151) is 1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2ccnc(Cl)c2)CC1.
What is the InChIKey of 1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is DIQLIWMRXNXQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-17(2)13(19)10-4-7-18(8-5-10)14(20)11-3-6-16-12(15)9-11/h3,6,9-10H,4-5,7-8H2,1-2H3.
What are the key properties of 1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 47124151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).