4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride

C12H27Cl2N3O — CID 119865945

IUPAC4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
SMILESCN1CCC(CCNC(=O)CCCN)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-15-9-5-11(6-10-15)4-8-14-12(16)3-2-7-13;;/h11H,2-10,13H2,1H3,(H,14,16);2*1H
InChIKeyJCDRVAULRWQYLX-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.42
Rot. Bonds6

About 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride

4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride (PubChem CID 119865945) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
PubChem CID119865945
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
SMILESCN1CCC(CCNC(=O)CCCN)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-15-9-5-11(6-10-15)4-8-14-12(16)3-2-7-13;;/h11H,2-10,13H2,1H3,(H,14,16);2*1H
InChIKeyJCDRVAULRWQYLX-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935
3-(tert-butylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515771
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide
CID 50875549
3-amino-N-[2-(1-methylpiperidin-3-yl)ethyl]propanamide
CID 115153050
4-[2-(1-methylpyrrolidin-3-yl)ethylamino]-4-oxobutanoic acid
CID 115163740
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
N-[2-(dimethylamino)ethyl]-3-(1-methylpiperidin-4-yl)propanamide
CID 20719712

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride (CID 119865945) is 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride is CN1CCC(CCNC(=O)CCCN)CC1.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride?
The InChIKey is JCDRVAULRWQYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-15-9-5-11(6-10-15)4-8-14-12(16)3-2-7-13;;/h11H,2-10,13H2,1H3,(H,14,16);2*1H.
What are the key properties of 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride?
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119865945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).