N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide

C21H29ClN4O2 — CID 55816121

IUPACN-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)NCCC1=CCCCC1
InChIInChI=1S/C21H29ClN4O2/c22-18-8-9-19(24-13-18)25-21(28)17-7-4-12-26(14-17)15-20(27)23-11-10-16-5-2-1-3-6-16/h5,8-9,13,17H,1-4,6-7,10-12,14-15H2,(H,23,27)(H,24,25,28)
InChIKeyJSYXOGMGGIABHH-UHFFFAOYSA-N
MW404.94 g/mol
LogP3.39
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 55816121) has the molecular formula C21H29ClN4O2 and a molecular weight of 404.94 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID55816121
Molecular FormulaC21H29ClN4O2
Molecular Weight404.94 g/mol
Exact Mass404.20
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide
SMILESO=C(CN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)NCCC1=CCCCC1
InChIInChI=1S/C21H29ClN4O2/c22-18-8-9-19(24-13-18)25-21(28)17-7-4-12-26(14-17)15-20(27)23-11-10-16-5-2-1-3-6-16/h5,8-9,13,17H,1-4,6-7,10-12,14-15H2,(H,23,27)(H,24,25,28)
InChIKeyJSYXOGMGGIABHH-UHFFFAOYSA-N
XLogP3.39
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 51970015
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-formylpiperidin-1-yl)acetamide
CID 62655682
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491780
N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 60523047
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491779
N-(5-chloro-2-pyridinyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84564177
(3R)-N-(5-chloro-2-pyridinyl)-1-[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]piperidine-3-carboxamide
CID 100858130
(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
CID 93491776
(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 95339286

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide (CID 55816121) is N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide is O=C(CN1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)NCCC1=CCCCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is JSYXOGMGGIABHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O2/c22-18-8-9-19(24-13-18)25-21(28)17-7-4-12-26(14-17)15-20(27)23-11-10-16-5-2-1-3-6-16/h5,8-9,13,17H,1-4,6-7,10-12,14-15H2,(H,23,27)(H,24,25,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 404.94 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55816121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).