[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride

C15H29ClN2O — CID 119787837

IUPAC[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCCN(C(=O)[C@H]2CCCCN2)CC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-12(2)13-6-5-10-17(11-8-13)15(18)14-7-3-4-9-16-14;/h12-14,16H,3-11H2,1-2H3;1H/t13?,14-;/m1./s1
InChIKeyRPTXLTWBDUJARW-BAGZVPGASA-N
MW288.86 g/mol
LogP2.84
Rot. Bonds2

About [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride

[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride (PubChem CID 119787837) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
PubChem CID119787837
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCCN(C(=O)[C@H]2CCCCN2)CC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-12(2)13-6-5-10-17(11-8-13)15(18)14-7-3-4-9-16-14;/h12-14,16H,3-11H2,1-2H3;1H/t13?,14-;/m1./s1
InChIKeyRPTXLTWBDUJARW-BAGZVPGASA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride 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

piperidin-2-yl-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119326089
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 113266870
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
2-methyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297843
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718

Frequently Asked Questions

What is the IUPAC name of [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride (CID 119787837) is [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride is CC(C)C1CCCN(C(=O)[C@H]2CCCCN2)CC1.Cl.
What is the InChIKey of [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride?
The InChIKey is RPTXLTWBDUJARW-BAGZVPGASA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-12(2)13-6-5-10-17(11-8-13)15(18)14-7-3-4-9-16-14;/h12-14,16H,3-11H2,1-2H3;1H/t13?,14-;/m1./s1.
What are the key properties of [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride?
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119787837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).