[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride

C16H25ClN2OS — CID 119563784

IUPAC[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(SC(C)C)cc2)CC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-12(2)20-15-6-4-13(5-7-15)16(19)18-10-8-14(17-3)9-11-18;/h4-7,12,14,17H,8-11H2,1-3H3;1H
InChIKeyRFSSWNFKIRVIRS-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.43
Rot. Bonds4

About [4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride

[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride (PubChem CID 119563784) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
PubChem CID119563784
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(SC(C)C)cc2)CC1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-12(2)20-15-6-4-13(5-7-15)16(19)18-10-8-14(17-3)9-11-18;/h4-7,12,14,17H,8-11H2,1-3H3;1H
InChIKeyRFSSWNFKIRVIRS-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)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

[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 119413263
1-(4-propan-2-ylsulfanylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119355321
2-methyl-1-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]propan-1-one
CID 110800282
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
N-propan-2-yl-4-(4-propan-2-ylsulfanylbenzoyl)piperazine-1-carboxamide
CID 110812714
[4-(methylamino)piperidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119563632
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
2,2-dimethyl-1-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]propan-1-one
CID 110801488
[4-(difluoromethoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559882
oxolan-2-yl-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]methanone
CID 110801198
[2-(aminomethyl)pyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119634437
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride (CID 119563784) is [4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride is CNC1CCN(C(=O)c2ccc(SC(C)C)cc2)CC1.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride?
The InChIKey is RFSSWNFKIRVIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-12(2)20-15-6-4-13(5-7-15)16(19)18-10-8-14(17-3)9-11-18;/h4-7,12,14,17H,8-11H2,1-3H3;1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride?
[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119563784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).