1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C11H16N4O — CID 91406466

IUPAC1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H16N4O/c1-8-2-5-13-11(14-8)15-6-3-9(4-7-15)10(12)16/h2,5,9H,3-4,6-7H2,1H3,(H2,12,16)
InChIKeyAKHNMGWCAOMTDA-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.49
Rot. Bonds2

About 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 91406466) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID91406466
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H16N4O/c1-8-2-5-13-11(14-8)15-6-3-9(4-7-15)10(12)16/h2,5,9H,3-4,6-7H2,1H3,(H2,12,16)
InChIKeyAKHNMGWCAOMTDA-UHFFFAOYSA-N
XLogP0.49
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-{[(4-Methylpyrimidin-2-yl)sulfanyl]acetyl}piperidine-4-carboxamide
CID 667119
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 646431
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 2777795
US9624218, Example 14
CID 138374300
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid sec-butylamide
CID 645777
[5-(Trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 2810209
1-(4,6-Dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 2996976

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 91406466) is 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is AKHNMGWCAOMTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-2-5-13-11(14-8)15-6-3-9(4-7-15)10(12)16/h2,5,9H,3-4,6-7H2,1H3,(H2,12,16).
What are the key properties of 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 91406466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).