N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide

C13H25N5O4S — CID 42950768

IUPACN-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C13H25N5O4S/c1-11(12(19)15-13(20)14-2)16-7-9-18(10-8-16)23(21,22)17-5-3-4-6-17/h11H,3-10H2,1-2H3,(H2,14,15,19,20)
InChIKeyDDEZWDANMJJMDR-UHFFFAOYSA-N
MW347.44 g/mol
LogP-1.21
Rot. Bonds4

About N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide

N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide (PubChem CID 42950768) has the molecular formula C13H25N5O4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
PubChem CID42950768
Molecular FormulaC13H25N5O4S
Molecular Weight347.44 g/mol
Exact Mass347.16
IUPAC NameN-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C13H25N5O4S/c1-11(12(19)15-13(20)14-2)16-7-9-18(10-8-16)23(21,22)17-5-3-4-6-17/h11H,3-10H2,1-2H3,(H2,14,15,19,20)
InChIKeyDDEZWDANMJJMDR-UHFFFAOYSA-N
XLogP-1.21
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950769
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63341284
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42896207
(2S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 9304383
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide
CID 94418975
N-(cyclopentylcarbamoyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 46595351
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63338955
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 51170713
2-[4-(1-cyanobutyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63339702

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide (CID 42950768) is N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide is CNC(=O)NC(=O)C(C)N1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is DDEZWDANMJJMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O4S/c1-11(12(19)15-13(20)14-2)16-7-9-18(10-8-16)23(21,22)17-5-3-4-6-17/h11H,3-10H2,1-2H3,(H2,14,15,19,20).
What are the key properties of N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 347.44 g/mol, XLogP of -1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 42950768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).