2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide

C11H23N5O2 — CID 63339692

IUPAC2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide
SMILESCC(CN)N1CCN(C(C)C(=O)NC(N)=O)CC1
InChIInChI=1S/C11H23N5O2/c1-8(7-12)15-3-5-16(6-4-15)9(2)10(17)14-11(13)18/h8-9H,3-7,12H2,1-2H3,(H3,13,14,17,18)
InChIKeyHWWQBZYKEYPBSN-UHFFFAOYSA-N
MW257.34 g/mol
LogP-1.47
Rot. Bonds4

About 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide

2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide (PubChem CID 63339692) has the molecular formula C11H23N5O2 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide
PubChem CID63339692
Molecular FormulaC11H23N5O2
Molecular Weight257.34 g/mol
Exact Mass257.19
IUPAC Name2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide
SMILESCC(CN)N1CCN(C(C)C(=O)NC(N)=O)CC1
InChIInChI=1S/C11H23N5O2/c1-8(7-12)15-3-5-16(6-4-15)9(2)10(17)14-11(13)18/h8-9H,3-7,12H2,1-2H3,(H3,13,14,17,18)
InChIKeyHWWQBZYKEYPBSN-UHFFFAOYSA-N
XLogP-1.47
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide
CID 55201574
N-carbamoyl-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)propanamide
CID 42950769
2-[4-(2-aminoethoxy)piperidin-1-yl]-N-carbamoylpropanamide
CID 82692623
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
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
CID 62216175
N-carbamoyl-2-[4-(ethylaminomethyl)piperidin-1-yl]propanamide;hydrochloride
CID 119928173
N-carbamoyl-2-[4-(2,6-dimethylphenyl)piperazin-1-yl]propanamide
CID 110190883
N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide
CID 107407893

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide?
The IUPAC name of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide (CID 63339692) is 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide.
What is the SMILES notation for 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide?
The canonical SMILES for 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide is CC(CN)N1CCN(C(C)C(=O)NC(N)=O)CC1.
What is the InChIKey of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide?
The InChIKey is HWWQBZYKEYPBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O2/c1-8(7-12)15-3-5-16(6-4-15)9(2)10(17)14-11(13)18/h8-9H,3-7,12H2,1-2H3,(H3,13,14,17,18).
What are the key properties of 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide?
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide has a molecular weight of 257.34 g/mol, XLogP of -1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide is sourced from PubChem (CID 63339692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).