trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide

C19H30N4O — CID 129398475

IUPACtrans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESC[C@H]1C[C@H](C(=O)NC2CCN(c3ncccn3)CC2)CC(C)(C)C1
InChIInChI=1S/C19H30N4O/c1-14-11-15(13-19(2,3)12-14)17(24)22-16-5-9-23(10-6-16)18-20-7-4-8-21-18/h4,7-8,14-16H,5-6,9-13H2,1-3H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyCADPTMLNGPRBFJ-GJZGRUSLSA-N
MW330.48 g/mol
LogP3.02
Rot. Bonds3

About trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide

trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 129398475) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID129398475
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Nametrans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESC[C@H]1C[C@H](C(=O)NC2CCN(c3ncccn3)CC2)CC(C)(C)C1
InChIInChI=1S/C19H30N4O/c1-14-11-15(13-19(2,3)12-14)17(24)22-16-5-9-23(10-6-16)18-20-7-4-8-21-18/h4,7-8,14-16H,5-6,9-13H2,1-3H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyCADPTMLNGPRBFJ-GJZGRUSLSA-N
XLogP3.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 135107590
4-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63713938
1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 23609685
N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 51103793
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
2-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 61265591
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 63139406
1-(2-methyl-3-methylsulfanylpropanoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 136540184
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540

Frequently Asked Questions

What is the IUPAC name of trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 129398475) is trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide is C[C@H]1C[C@H](C(=O)NC2CCN(c3ncccn3)CC2)CC(C)(C)C1.
What is the InChIKey of trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is CADPTMLNGPRBFJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14-11-15(13-19(2,3)12-14)17(24)22-16-5-9-23(10-6-16)18-20-7-4-8-21-18/h4,7-8,14-16H,5-6,9-13H2,1-3H3,(H,22,24)/t14-,15-/m0/s1.
What are the key properties of trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide?
trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,5S)-3,3,5-trimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 129398475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).