N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C16H26N4O — CID 645777

IUPACN-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H26N4O/c1-5-11(2)17-15(21)14-6-8-20(9-7-14)16-18-12(3)10-13(4)19-16/h10-11,14H,5-9H2,1-4H3,(H,17,21)
InChIKeyAQASHMKYQIKARU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.22
Rot. Bonds4

About N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 645777) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID645777
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C16H26N4O/c1-5-11(2)17-15(21)14-6-8-20(9-7-14)16-18-12(3)10-13(4)19-16/h10-11,14H,5-9H2,1-4H3,(H,17,21)
InChIKeyAQASHMKYQIKARU-UHFFFAOYSA-N
XLogP2.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224234
1-(4,6-dimethylpyrimidin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 3224256
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2-cyclohex-1-enyl-ethyl)-amide
CID 649439
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
CID 666064
N-cyclohexyl-2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazole-1-carboxamide
CID 938501
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 646431
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-methoxy-propyl)-amide
CID 648946

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 645777) is N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1.
What is the InChIKey of N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is AQASHMKYQIKARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-11(2)17-15(21)14-6-8-20(9-7-14)16-18-12(3)10-13(4)19-16/h10-11,14H,5-9H2,1-4H3,(H,17,21).
What are the key properties of N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-butan-2-yl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.22, 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-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 645777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).