3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide

C12H24N4O2 — CID 55216877

IUPAC3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCC(C(C)N)CC1
InChIInChI=1S/C12H24N4O2/c1-9(13)10-3-6-16(7-4-10)8-5-11(17)15-12(18)14-2/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18)
InChIKeyGMAVJAVGOYBWFD-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.11
Rot. Bonds4

About 3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide

3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 55216877) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID55216877
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1CCC(C(C)N)CC1
InChIInChI=1S/C12H24N4O2/c1-9(13)10-3-6-16(7-4-10)8-5-11(17)15-12(18)14-2/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18)
InChIKeyGMAVJAVGOYBWFD-UHFFFAOYSA-N
XLogP-0.11
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119905056
methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate
CID 60728436
3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide
CID 63596230
3-[4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 94007632
3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119910993
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 63595188
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 51728561
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 63595189
1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid
CID 43440872
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide (CID 55216877) is 3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN1CCC(C(C)N)CC1.
What is the InChIKey of 3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is GMAVJAVGOYBWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9(13)10-3-6-16(7-4-10)8-5-11(17)15-12(18)14-2/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide?
3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 256.35 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 55216877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).