(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone

C18H33N3O — CID 119851960

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)C2C3CCC(C3)C2N)CC1
InChIInChI=1S/C18H33N3O/c1-3-20(4-2)12-13-7-9-21(10-8-13)18(22)16-14-5-6-15(11-14)17(16)19/h13-17H,3-12,19H2,1-2H3
InChIKeyFIULCCDTZZOONE-UHFFFAOYSA-N
MW307.48 g/mol
LogP1.94
Rot. Bonds5

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119851960) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119851960
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)C2C3CCC(C3)C2N)CC1
InChIInChI=1S/C18H33N3O/c1-3-20(4-2)12-13-7-9-21(10-8-13)18(22)16-14-5-6-15(11-14)17(16)19/h13-17H,3-12,19H2,1-2H3
InChIKeyFIULCCDTZZOONE-UHFFFAOYSA-N
XLogP1.94
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-1-yl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)propanamide
CID 659138
3-(4-ethylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 162655638
3-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 145990267
4-(4-methylpiperidin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butanamide
CID 162651863
3-(4-methylpiperazin-1-yl)-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanamide
CID 162664197
N-[(1R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 2817639
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114450
3-[2-[(2-Cyclohexylacetyl)amino]propanoylamino]bicyclo[2.2.1]heptane-2-carboxamide
CID 72128880
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163395343
3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 167110752
(1R,2R,3R,4S)-3-amino-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 154720154
(2R,3S)-3-amino-N-prop-2-ynylbicyclo[2.2.1]heptane-2-carboxamide
CID 166441112

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone (CID 119851960) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone is CCN(CC)CC1CCN(C(=O)C2C3CCC(C3)C2N)CC1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is FIULCCDTZZOONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-3-20(4-2)12-13-7-9-21(10-8-13)18(22)16-14-5-6-15(11-14)17(16)19/h13-17H,3-12,19H2,1-2H3.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 307.48 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119851960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).