N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide

C11H15ClN4O — CID 114049460

IUPACN-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)ncn2)CCNCC1
InChIInChI=1S/C11H15ClN4O/c1-11(2-4-13-5-3-11)10(17)16-9-6-8(12)14-7-15-9/h6-7,13H,2-5H2,1H3,(H,14,15,16,17)
InChIKeyBGLWATFHWBKBFI-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.46
Rot. Bonds2

About N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide

N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide (PubChem CID 114049460) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide
PubChem CID114049460
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC NameN-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide
SMILESCC1(C(=O)Nc2cc(Cl)ncn2)CCNCC1
InChIInChI=1S/C11H15ClN4O/c1-11(2-4-13-5-3-11)10(17)16-9-6-8(12)14-7-15-9/h6-7,13H,2-5H2,1H3,(H,14,15,16,17)
InChIKeyBGLWATFHWBKBFI-UHFFFAOYSA-N
XLogP1.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 63121370
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylpiperidine-4-carboxamide
CID 104618097
N-(1H-imidazol-2-yl)-4-methylpiperidine-4-carboxamide
CID 63563172
N-(4-chloro-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121680
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544
N-(4-chloro-2-pyridinyl)-3-methylpiperidine-3-carboxamide
CID 113357176
4-methyl-N-(3,4,5-trifluorophenyl)piperidine-4-carboxamide
CID 55177366
N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 165133353
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477
4-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
CID 63121506
3-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-3-carboxamide
CID 63141092
4-methyl-N-(4-methyl-1H-pyrazol-5-yl)piperidine-4-carboxamide
CID 104619119

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide (CID 114049460) is N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide is CC1(C(=O)Nc2cc(Cl)ncn2)CCNCC1.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide?
The InChIKey is BGLWATFHWBKBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-11(2-4-13-5-3-11)10(17)16-9-6-8(12)14-7-15-9/h6-7,13H,2-5H2,1H3,(H,14,15,16,17).
What are the key properties of N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide?
N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 114049460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).