2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone

C16H28N2O — CID 61366100

IUPAC2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C16H28N2O/c1-2-7-17-14-5-8-18(9-6-14)16(19)15-11-12-3-4-13(15)10-12/h12-15,17H,2-11H2,1H3
InChIKeyCEUJIQAQUOVHOU-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.41
Rot. Bonds4

About 2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone

2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone (PubChem CID 61366100) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone
PubChem CID61366100
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)C2CC3CCC2C3)CC1
InChIInChI=1S/C16H28N2O/c1-2-7-17-14-5-8-18(9-6-14)16(19)15-11-12-3-4-13(15)10-12/h12-15,17H,2-11H2,1H3
InChIKeyCEUJIQAQUOVHOU-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone 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-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
4-(propylamino)piperidine-1-carbothioic S-acid
CID 143221289
2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
CID 63390766
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
2-bicyclo[2.2.1]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263361
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-methylacetamide
CID 47124968
(1R,2R,4S)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 11074023
1-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021690
(5-methyloxolan-3-yl)-[4-(propylamino)piperidin-1-yl]methanone
CID 114824094
2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043906
2-bicyclo[2.2.1]heptanyl-[4-(2-chloroethoxy)piperidin-1-yl]methanone
CID 82701385
(2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107174400

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone (CID 61366100) is 2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone is CCCNC1CCN(C(=O)C2CC3CCC2C3)CC1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone?
The InChIKey is CEUJIQAQUOVHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-7-17-14-5-8-18(9-6-14)16(19)15-11-12-3-4-13(15)10-12/h12-15,17H,2-11H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone?
2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone has a molecular weight of 264.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 61366100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).