N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide

C20H38N4O3S — CID 4135815

IUPACN-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NCCN3CCCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O3S/c1-18-6-13-23(14-7-18)28(26,27)24-15-8-19(9-16-24)20(25)21-10-17-22-11-4-2-3-5-12-22/h18-19H,2-17H2,1H3,(H,21,25)
InChIKeyYHCBWYFSENVCNE-UHFFFAOYSA-N
MW414.62 g/mol
LogP1.67
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide

N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 4135815) has the molecular formula C20H38N4O3S and a molecular weight of 414.62 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
PubChem CID4135815
Molecular FormulaC20H38N4O3S
Molecular Weight414.62 g/mol
Exact Mass414.27
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NCCN3CCCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O3S/c1-18-6-13-23(14-7-18)28(26,27)24-15-8-19(9-16-24)20(25)21-10-17-22-11-4-2-3-5-12-22/h18-19H,2-17H2,1H3,(H,21,25)
InChIKeyYHCBWYFSENVCNE-UHFFFAOYSA-N
XLogP1.67
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3236692
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 46276243
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814
1-(benzenesulfonyl)-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 55723344
N-[3-(4-methylpiperidin-1-yl)propyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 4531205
N-(2-methoxyethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5058959
1-butylsulfonyl-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55980877
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 56862595
1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 3294768

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (CID 4135815) is N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide is CC1CCN(S(=O)(=O)N2CCC(C(=O)NCCN3CCCCCC3)CC2)CC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YHCBWYFSENVCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3S/c1-18-6-13-23(14-7-18)28(26,27)24-15-8-19(9-16-24)20(25)21-10-17-22-11-4-2-3-5-12-22/h18-19H,2-17H2,1H3,(H,21,25).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 414.62 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4135815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).