[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C17H32N2O — CID 114498726

IUPAC[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCCCNC1CCN(C(=O)C2C(C)(C)C2(C)C)CC1C
InChIInChI=1S/C17H32N2O/c1-7-9-18-13-8-10-19(11-12(13)2)15(20)14-16(3,4)17(14,5)6/h12-14,18H,7-11H2,1-6H3
InChIKeyIBRCSNIXHHDPQS-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.91
Rot. Bonds4

About [3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 114498726) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is [3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID114498726
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCCCNC1CCN(C(=O)C2C(C)(C)C2(C)C)CC1C
InChIInChI=1S/C17H32N2O/c1-7-9-18-13-8-10-19(11-12(13)2)15(20)14-16(3,4)17(14,5)6/h12-14,18H,7-11H2,1-6H3
InChIKeyIBRCSNIXHHDPQS-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)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

[3-methyl-4-(methylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498376
(3-methyloxolan-2-yl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498603
2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114498667
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498711
[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
CID 114498596
3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 114498803
(4-amino-3-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 79879328
(3-chloro-4-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102961315
[4-(ethylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477778
2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide
CID 114499454
(2-fluoro-4-methylphenyl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498661
3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine
CID 114499016

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 114498726) is [3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CCCNC1CCN(C(=O)C2C(C)(C)C2(C)C)CC1C.
What is the InChIKey of [3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is IBRCSNIXHHDPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-7-9-18-13-8-10-19(11-12(13)2)15(20)14-16(3,4)17(14,5)6/h12-14,18H,7-11H2,1-6H3.
What are the key properties of [3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 280.46 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 114498726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).