[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride

C18H31ClN4O3S — CID 119543393

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1.Cl
InChIInChI=1S/C18H30N4O3S.ClH/c1-19-13-15-6-10-21(11-7-15)18(23)17-12-16(14-20(17)2)26(24,25)22-8-4-3-5-9-22;/h12,14-15,19H,3-11,13H2,1-2H3;1H
InChIKeyPKBGQOCJWNJRCR-UHFFFAOYSA-N
MW418.99 g/mol
LogP1.69
Rot. Bonds5

About [4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride

[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride (PubChem CID 119543393) has the molecular formula C18H31ClN4O3S and a molecular weight of 418.99 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride
PubChem CID119543393
Molecular FormulaC18H31ClN4O3S
Molecular Weight418.99 g/mol
Exact Mass418.18
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1.Cl
InChIInChI=1S/C18H30N4O3S.ClH/c1-19-13-15-6-10-21(11-7-15)18(23)17-12-16(14-20(17)2)26(24,25)22-8-4-3-5-9-22;/h12,14-15,19H,3-11,13H2,1-2H3;1H
InChIKeyPKBGQOCJWNJRCR-UHFFFAOYSA-N
XLogP1.69
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.99
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride with MolForge

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Related Compounds

ethyl 1-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)piperidine-4-carboxylate
CID 22518965
N-[1-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55634692
1-methyl-4-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510648
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)methanone
CID 55474104
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 119542099
N-(3-methoxypropyl)-2-[4-(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide
CID 55633380
[4-(methylaminomethyl)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 119543461
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone;hydrochloride
CID 119647438
N,N-diethyl-2-[4-(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)piperazin-1-yl]acetamide
CID 55452089
N-(2-methylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 53031086
N-(cyclohexylmethyl)-N-cyclopropyl-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87028777
N-(3-ethylphenyl)-1-[1-methyl-5-(piperidine-1-carbonyl)pyrrol-3-yl]sulfonylpiperidine-4-carboxamide
CID 50822108

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride (CID 119543393) is [4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride is CNCC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1.Cl.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride?
The InChIKey is PKBGQOCJWNJRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S.ClH/c1-19-13-15-6-10-21(11-7-15)18(23)17-12-16(14-20(17)2)26(24,25)22-8-4-3-5-9-22;/h12,14-15,19H,3-11,13H2,1-2H3;1H.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride?
[4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride has a molecular weight of 418.99 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119543393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).