N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide

C17H25ClN4O2 — CID 78903847

IUPACN-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-3-22(4-2)16(23)12-21-9-7-13(8-10-21)17(24)20-15-6-5-14(18)11-19-15/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,19,20,24)
InChIKeyDGSITTZOWLRFAR-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.25
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 78903847) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID78903847
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-3-22(4-2)16(23)12-21-9-7-13(8-10-21)17(24)20-15-6-5-14(18)11-19-15/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,19,20,24)
InChIKeyDGSITTZOWLRFAR-UHFFFAOYSA-N
XLogP2.25
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 55856601
N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 51104657
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 120982476
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157
N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 4692251
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959
N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide
CID 87021618
N-(5-chloro-2-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899282

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide (CID 78903847) is N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide is CCN(CC)C(=O)CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is DGSITTZOWLRFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-3-22(4-2)16(23)12-21-9-7-13(8-10-21)17(24)20-15-6-5-14(18)11-19-15/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,19,20,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 352.87 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 78903847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).