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

C12H23N5O4S — CID 42950769

IUPACN-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H23N5O4S/c1-10(11(18)14-12(13)19)15-6-8-17(9-7-15)22(20,21)16-4-2-3-5-16/h10H,2-9H2,1H3,(H3,13,14,18,19)
InChIKeyBZRPEXODZWKZKK-UHFFFAOYSA-N
MW333.41 g/mol
LogP-1.47
Rot. Bonds4

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

N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide (PubChem CID 42950769) has the molecular formula C12H23N5O4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
PubChem CID42950769
Molecular FormulaC12H23N5O4S
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC NameN-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NC(N)=O)N1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C12H23N5O4S/c1-10(11(18)14-12(13)19)15-6-8-17(9-7-15)22(20,21)16-4-2-3-5-16/h10H,2-9H2,1H3,(H3,13,14,18,19)
InChIKeyBZRPEXODZWKZKK-UHFFFAOYSA-N
XLogP-1.47
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(methylcarbamoyl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950768
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42896207
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide
CID 63339692
N-carbamoyl-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55354582
2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide
CID 107407893
N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide
CID 55201574
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16599163
N-(cyclopentylcarbamoyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]propanamide
CID 46595351
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124488
N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55256660
N-carbamoyl-2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]propanamide
CID 46444317

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
The IUPAC name of N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide (CID 42950769) is N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
The canonical SMILES for N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide is CC(C(=O)NC(N)=O)N1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
The InChIKey is BZRPEXODZWKZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O4S/c1-10(11(18)14-12(13)19)15-6-8-17(9-7-15)22(20,21)16-4-2-3-5-16/h10H,2-9H2,1H3,(H3,13,14,18,19).
What are the key properties of N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide?
N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide has a molecular weight of 333.41 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide is sourced from PubChem (CID 42950769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).