N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C16H30N4O4S — CID 3448160

IUPACN-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C16H30N4O4S/c21-16(17-5-10-18-11-13-24-14-12-18)15-3-8-20(9-4-15)25(22,23)19-6-1-2-7-19/h15H,1-14H2,(H,17,21)
InChIKeyRTOIILDOCGELGN-UHFFFAOYSA-N
MW374.51 g/mol
LogP-0.51
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3448160) has the molecular formula C16H30N4O4S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3448160
Molecular FormulaC16H30N4O4S
Molecular Weight374.51 g/mol
Exact Mass374.20
IUPAC NameN-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C16H30N4O4S/c21-16(17-5-10-18-11-13-24-14-12-18)15-3-8-20(9-4-15)25(22,23)19-6-1-2-7-19/h15H,1-14H2,(H,17,21)
InChIKeyRTOIILDOCGELGN-UHFFFAOYSA-N
XLogP-0.51
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
4-N-(2-morpholin-4-ylethyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428885
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
1-(2,5-dimethylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 100780680
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 47178269
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
1-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199822
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 112991537
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3448160) is N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is O=C(NCCN1CCOCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is RTOIILDOCGELGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4S/c21-16(17-5-10-18-11-13-24-14-12-18)15-3-8-20(9-4-15)25(22,23)19-6-1-2-7-19/h15H,1-14H2,(H,17,21).
What are the key properties of N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 374.51 g/mol, XLogP of -0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3448160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).