3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride

C12H25ClN4O2 — CID 119910993

IUPAC3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
SMILESCNC(=O)NC(=O)CCN1CCCCC1C(C)N.Cl
InChIInChI=1S/C12H24N4O2.ClH/c1-9(13)10-5-3-4-7-16(10)8-6-11(17)15-12(18)14-2;/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18);1H
InChIKeyZTRMBCJDBDWUIA-UHFFFAOYSA-N
MW292.81 g/mol
LogP0.46
Rot. Bonds4

About 3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride

3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride (PubChem CID 119910993) has the molecular formula C12H25ClN4O2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
PubChem CID119910993
Molecular FormulaC12H25ClN4O2
Molecular Weight292.81 g/mol
Exact Mass292.17
IUPAC Name3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
SMILESCNC(=O)NC(=O)CCN1CCCCC1C(C)N.Cl
InChIInChI=1S/C12H24N4O2.ClH/c1-9(13)10-5-3-4-7-16(10)8-6-11(17)15-12(18)14-2;/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18);1H
InChIKeyZTRMBCJDBDWUIA-UHFFFAOYSA-N
XLogP0.46
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119911160
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119911588
3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 55216877
propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255309
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119911198
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 55168013
N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111107076
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
CID 63255860
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119911978
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119926962
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119905056
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride?
The IUPAC name of 3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride (CID 119910993) is 3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride?
The canonical SMILES for 3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride is CNC(=O)NC(=O)CCN1CCCCC1C(C)N.Cl.
What is the InChIKey of 3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride?
The InChIKey is ZTRMBCJDBDWUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2.ClH/c1-9(13)10-5-3-4-7-16(10)8-6-11(17)15-12(18)14-2;/h9-10H,3-8,13H2,1-2H3,(H2,14,15,17,18);1H.
What are the key properties of 3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride?
3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride is sourced from PubChem (CID 119910993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).