N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

C18H26N4O2 — CID 120575634

IUPACN-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCC1NCCCC1NC(=O)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C18H26N4O2/c1-13-16(5-2-8-20-13)21-17(23)15-4-3-11-22(12-15)18(24)14-6-9-19-10-7-14/h6-7,9-10,13,15-16,20H,2-5,8,11-12H2,1H3,(H,21,23)
InChIKeyQRTOUCAIRGGQMR-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.19
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 120575634) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
PubChem CID120575634
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCC1NCCCC1NC(=O)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C18H26N4O2/c1-13-16(5-2-8-20-13)21-17(23)15-4-3-11-22(12-15)18(24)14-6-9-19-10-7-14/h6-7,9-10,13,15-16,20H,2-5,8,11-12H2,1H3,(H,21,23)
InChIKeyQRTOUCAIRGGQMR-UHFFFAOYSA-N
XLogP1.19
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride
CID 120577067
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
N-[2-(methylamino)ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119500246
N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119429825
N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 46170994
3-methyl-N-(2-methylpiperidin-3-yl)piperidine-1-carboxamide
CID 79159344
(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride
CID 119470241
N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
CID 114694966
N-(benzenesulfonyl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 166232544
(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 124817203
N-(5-ethyl-1H-pyrazol-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 71991373
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (CID 120575634) is N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is CC1NCCCC1NC(=O)C1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is QRTOUCAIRGGQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-16(5-2-8-20-13)21-17(23)15-4-3-11-22(12-15)18(24)14-6-9-19-10-7-14/h6-7,9-10,13,15-16,20H,2-5,8,11-12H2,1H3,(H,21,23).
What are the key properties of N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 120575634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).