N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide

C17H32N4O3S — CID 70769370

IUPACN-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCCC(NC(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C17H32N4O3S/c1-15-7-12-20(13-8-15)25(23,24)21-11-3-2-6-16(14-21)18-17(22)19-9-4-5-10-19/h15-16H,2-14H2,1H3,(H,18,22)
InChIKeyQLCWIFQGWQBKRZ-UHFFFAOYSA-N
MW372.54 g/mol
LogP1.62
Rot. Bonds3

About N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide

N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide (PubChem CID 70769370) has the molecular formula C17H32N4O3S and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide
PubChem CID70769370
Molecular FormulaC17H32N4O3S
Molecular Weight372.54 g/mol
Exact Mass372.22
IUPAC NameN-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCCC(NC(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C17H32N4O3S/c1-15-7-12-20(13-8-15)25(23,24)21-11-3-2-6-16(14-21)18-17(22)19-9-4-5-10-19/h15-16H,2-14H2,1H3,(H,18,22)
InChIKeyQLCWIFQGWQBKRZ-UHFFFAOYSA-N
XLogP1.62
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Methylpiperidin-1-YL)methyl]-N-propylazepane-1-carboxamide
CID 124072896
(2R)-N-cyclopentyl-2-[(4-methylpiperidin-1-yl)methyl]azepane-1-carboxamide
CID 164635769
3-pyrrolidin-1-yl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]azepane-1-carboxamide
CID 126776179
1-[(3R,5S)-1-[(2S)-3-amino-2-methylpropyl]-5-[(piperidin-4-ylmethylamino)methyl]pyrrolidin-3-yl]-3-methylurea
CID 90212622
4-(azepan-1-ylsulfonyl)-N-cyclopentylpiperazine-1-carboxamide
CID 30262277
4-(azepan-1-ylsulfonyl)-N-cyclohexylpiperazine-1-carboxamide
CID 35398860
1-[2-(Azepan-1-yl)-3-methylbutyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 55793523
1-[2-(Azepan-1-yl)-3-methylbutyl]-3-[4-(4-ethylpiperazin-1-yl)butyl]urea
CID 60472241
9-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71925693
N-[(3S)-1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide
CID 96579455
N-[(3R)-1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide
CID 96579456
(1S,6R)-9-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 97092552

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide (CID 70769370) is N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide is CC1CCN(S(=O)(=O)N2CCCCC(NC(=O)N3CCCC3)C2)CC1.
What is the InChIKey of N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is QLCWIFQGWQBKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3S/c1-15-7-12-20(13-8-15)25(23,24)21-11-3-2-6-16(14-21)18-17(22)19-9-4-5-10-19/h15-16H,2-14H2,1H3,(H,18,22).
What are the key properties of N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide?
N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperidin-1-yl)sulfonylazepan-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 70769370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).