4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide

C20H36N2O — CID 162651863

IUPAC4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
SMILESCC1CCN(CCCC(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1
InChIInChI=1S/C20H36N2O/c1-15-8-12-22(13-9-15)11-5-6-18(23)21-17-14-16-7-10-20(17,4)19(16,2)3/h15-17H,5-14H2,1-4H3,(H,21,23)/t16-,17-,20+/m1/s1
InChIKeyDYUHZRDMAYDVOS-HLIPFELVSA-N
MW320.52 g/mol
LogP3.83
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide

4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide (PubChem CID 162651863) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
PubChem CID162651863
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
SMILESCC1CCN(CCCC(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1
InChIInChI=1S/C20H36N2O/c1-15-8-12-22(13-9-15)11-5-6-18(23)21-17-14-16-7-10-20(17,4)19(16,2)3/h15-17H,5-14H2,1-4H3,(H,21,23)/t16-,17-,20+/m1/s1
InChIKeyDYUHZRDMAYDVOS-HLIPFELVSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide (CID 162651863) is 4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide is CC1CCN(CCCC(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
The InChIKey is DYUHZRDMAYDVOS-HLIPFELVSA-N. The full InChI is InChI=1S/C20H36N2O/c1-15-8-12-22(13-9-15)11-5-6-18(23)21-17-14-16-7-10-20(17,4)19(16,2)3/h15-17H,5-14H2,1-4H3,(H,21,23)/t16-,17-,20+/m1/s1.
What are the key properties of 4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide?
4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide has a molecular weight of 320.52 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide is sourced from PubChem (CID 162651863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).