N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide

C17H22ClN5O — CID 51104657

IUPACN-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCCn1ccnc1CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H22ClN5O/c1-2-23-10-7-19-16(23)12-22-8-5-13(6-9-22)17(24)21-15-4-3-14(18)11-20-15/h3-4,7,10-11,13H,2,5-6,8-9,12H2,1H3,(H,20,21,24)
InChIKeyTVKJZVYHSPDHSJ-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.80
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 51104657) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID51104657
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCCn1ccnc1CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H22ClN5O/c1-2-23-10-7-19-16(23)12-22-8-5-13(6-9-22)17(24)21-15-4-3-14(18)11-20-15/h3-4,7,10-11,13H,2,5-6,8-9,12H2,1H3,(H,20,21,24)
InChIKeyTVKJZVYHSPDHSJ-UHFFFAOYSA-N
XLogP2.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78903847
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CID 87021618
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 20598018
1-[(1-ethylimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide
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N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157
4-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 25287129
N-(5-chloro-2-pyridinyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
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1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359811
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-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56715514

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 51104657) is N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide is CCn1ccnc1CN1CCC(C(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is TVKJZVYHSPDHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-2-23-10-7-19-16(23)12-22-8-5-13(6-9-22)17(24)21-15-4-3-14(18)11-20-15/h3-4,7,10-11,13H,2,5-6,8-9,12H2,1H3,(H,20,21,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 51104657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).