N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C15H24N4O — CID 3223168

IUPACN-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NC(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4O/c1-11-5-8-16-14(17-11)19-9-6-12(7-10-19)13(20)18-15(2,3)4/h5,8,12H,6-7,9-10H2,1-4H3,(H,18,20)
InChIKeyFAKHFWOBRMZCMM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.92
Rot. Bonds2

About N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 3223168) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID3223168
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NC(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4O/c1-11-5-8-16-14(17-11)19-9-6-12(7-10-19)13(20)18-15(2,3)4/h5,8,12H,6-7,9-10H2,1-4H3,(H,18,20)
InChIKeyFAKHFWOBRMZCMM-UHFFFAOYSA-N
XLogP1.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.92
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 cyclopropylamide
CID 3223293
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
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 646431
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
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
1-(4-Methyl-2-pyrimidinyl)-4-piperidinecarboxamide
CID 91406466

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 3223168) is N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)NC(C)(C)C)CC2)n1.
What is the InChIKey of N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is FAKHFWOBRMZCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-5-8-16-14(17-11)19-9-6-12(7-10-19)13(20)18-15(2,3)4/h5,8,12H,6-7,9-10H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3223168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).