4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide

C20H35N3O2 — CID 99579879

IUPAC4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1
InChIInChI=1S/C20H35N3O2/c1-18(2,3)16(24)22-9-11-23(12-10-22)17(25)21-15-13-14-7-8-20(15,6)19(14,4)5/h14-15H,7-13H2,1-6H3,(H,21,25)/t14-,15-,20-/m1/s1
InChIKeyFHBMXHQUJNKBOR-STXHMFSFSA-N
MW349.52 g/mol
LogP3.10
Rot. Bonds1

About 4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide

4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide (PubChem CID 99579879) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
PubChem CID99579879
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC Name4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
SMILESCC(C)(C)C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1
InChIInChI=1S/C20H35N3O2/c1-18(2,3)16(24)22-9-11-23(12-10-22)17(25)21-15-13-14-7-8-20(15,6)19(14,4)5/h14-15H,7-13H2,1-6H3,(H,21,25)/t14-,15-,20-/m1/s1
InChIKeyFHBMXHQUJNKBOR-STXHMFSFSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-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

4-pyrimidin-2-yl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide
CID 99845459
4-(2-oxoimidazolidin-1-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidine-1-carboxamide
CID 98784827
2,2-dimethyl-N-[3-oxo-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]propanamide
CID 134018229
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazole-1-carboxamide
CID 81257647
2-bromo-N-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 102074730
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enamide
CID 3824523
1-[(1S,2R)-2-methylcyclopropyl]-3-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 124858894
N-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 2795155
(3R,8aR)-3-methyl-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124858447
(3R,8aS)-3-methyl-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 124858449
1-(2-fluoroethyl)-3-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]urea
CID 124541692
1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 102557696

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide (CID 99579879) is 4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide is CC(C)(C)C(=O)N1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)CC1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide?
The InChIKey is FHBMXHQUJNKBOR-STXHMFSFSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-18(2,3)16(24)22-9-11-23(12-10-22)17(25)21-15-13-14-7-8-20(15,6)19(14,4)5/h14-15H,7-13H2,1-6H3,(H,21,25)/t14-,15-,20-/m1/s1.
What are the key properties of 4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide?
4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide has a molecular weight of 349.52 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperazine-1-carboxamide is sourced from PubChem (CID 99579879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).