1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide

C20H30N4O — CID 71897332

IUPAC1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)C1CCCN(c3ncccn3)C1)C2
InChIInChI=1S/C20H30N4O/c1-19(2)15-7-8-20(19,3)16(12-15)23-17(25)14-6-4-11-24(13-14)18-21-9-5-10-22-18/h5,9-10,14-16H,4,6-8,11-13H2,1-3H3,(H,23,25)
InChIKeyNEGRNDYCWFKKOP-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.02
Rot. Bonds3

About 1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide

1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide (PubChem CID 71897332) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
PubChem CID71897332
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)C1CCCN(c3ncccn3)C1)C2
InChIInChI=1S/C20H30N4O/c1-19(2)15-7-8-20(19,3)16(12-15)23-17(25)14-6-4-11-24(13-14)18-21-9-5-10-22-18/h5,9-10,14-16H,4,6-8,11-13H2,1-3H3,(H,23,25)
InChIKeyNEGRNDYCWFKKOP-UHFFFAOYSA-N
XLogP3.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-pyrimidin-2-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-3-carboxamide
CID 100851588
[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (3R)-1-pyrimidin-2-ylpiperidine-3-carboxylate
CID 100851347
4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
CID 99845459
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71702861
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3S)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557652
(3S)-N-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 25352704

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
The IUPAC name of 1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide (CID 71897332) is 1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
The canonical SMILES for 1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide is CC1(C)C2CCC1(C)C(NC(=O)C1CCCN(c3ncccn3)C1)C2.
What is the InChIKey of 1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
The InChIKey is NEGRNDYCWFKKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-19(2)15-7-8-20(19,3)16(12-15)23-17(25)14-6-4-11-24(13-14)18-21-9-5-10-22-18/h5,9-10,14-16H,4,6-8,11-13H2,1-3H3,(H,23,25).
What are the key properties of 1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide?
1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide has a molecular weight of 342.49 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 1-pyrimidin-2-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-3-carboxamide is sourced from PubChem (CID 71897332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).