[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

C19H29N3O3S — CID 119563638

IUPAC[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCNC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C19H29N3O3S/c1-15-6-7-16(19(23)21-12-8-17(20-2)9-13-21)14-18(15)26(24,25)22-10-4-3-5-11-22/h6-7,14,17,20H,3-5,8-13H2,1-2H3
InChIKeyTUPAVGNFLWZSIH-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.99
Rot. Bonds4

About [4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 119563638) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID119563638
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCNC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C19H29N3O3S/c1-15-6-7-16(19(23)21-12-8-17(20-2)9-13-21)14-18(15)26(24,25)22-10-4-3-5-11-22/h6-7,14,17,20H,3-5,8-13H2,1-2H3
InChIKeyTUPAVGNFLWZSIH-UHFFFAOYSA-N
XLogP1.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone with MolForge

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Related Compounds

1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353985
(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2390804
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 45429250
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
(4-ethylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2336694
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1070097
N,N-diethyl-2-methyl-5-[4-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119563375
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 17465768
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55385020
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (CID 119563638) is [4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is CNC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is TUPAVGNFLWZSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-15-6-7-16(19(23)21-12-8-17(20-2)9-13-21)14-18(15)26(24,25)22-10-4-3-5-11-22/h6-7,14,17,20H,3-5,8-13H2,1-2H3.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 379.53 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 119563638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).