N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide

C14H22N4O — CID 3223139

IUPACN-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H22N4O/c1-3-11(2)17-13(19)12-5-9-18(10-6-12)14-15-7-4-8-16-14/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,17,19)
InChIKeyWAVJSIUVZKCKAN-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.61
Rot. Bonds4

About N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 3223139) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID3223139
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H22N4O/c1-3-11(2)17-13(19)12-5-9-18(10-6-12)14-15-7-4-8-16-14/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,17,19)
InChIKeyWAVJSIUVZKCKAN-UHFFFAOYSA-N
XLogP1.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.61
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
Bmy 21502
CID 129930
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
cis-azetidin-1-yl((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565584
cis-((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)(pyrrolidin-1-yl)methanone
CID 44565889
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
1-[(Pyrimidin-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
CID 752300
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
Cyclohexyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 727067
1-(4-Chloropyrimidin-2-yl)piperidine-4-carboxamide
CID 46907729

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 3223139) is N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is WAVJSIUVZKCKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-11(2)17-13(19)12-5-9-18(10-6-12)14-15-7-4-8-16-14/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3223139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).