2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride

C14H29ClN4O2 — CID 119916207

IUPAC2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
SMILESCCCNC(=O)CN(C)C(=O)CN1CCCCC1CN.Cl
InChIInChI=1S/C14H28N4O2.ClH/c1-3-7-16-13(19)10-17(2)14(20)11-18-8-5-4-6-12(18)9-15;/h12H,3-11,15H2,1-2H3,(H,16,19);1H
InChIKeyDPZMFGBPZIXQEF-UHFFFAOYSA-N
MW320.87 g/mol
LogP0.21
Rot. Bonds7

About 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride

2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride (PubChem CID 119916207) has the molecular formula C14H29ClN4O2 and a molecular weight of 320.87 g/mol. Its IUPAC name is 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
PubChem CID119916207
Molecular FormulaC14H29ClN4O2
Molecular Weight320.87 g/mol
Exact Mass320.20
IUPAC Name2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
SMILESCCCNC(=O)CN(C)C(=O)CN1CCCCC1CN.Cl
InChIInChI=1S/C14H28N4O2.ClH/c1-3-7-16-13(19)10-17(2)14(20)11-18-8-5-4-6-12(18)9-15;/h12H,3-11,15H2,1-2H3,(H,16,19);1H
InChIKeyDPZMFGBPZIXQEF-UHFFFAOYSA-N
XLogP0.21
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.87
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 60690448
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62466919
(2S)-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910417
N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031706
2-[2-(aminomethyl)piperidin-1-yl]-N,N-diethylacetamide;hydrochloride
CID 120869605
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
CID 119916251
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43186999
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 115969289
2-(3-aminoazetidin-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 65245071
N-methyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 134055105
N,N-dimethyl-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847147
2-[2-(aminomethyl)pyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119926999

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride (CID 119916207) is 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride is CCCNC(=O)CN(C)C(=O)CN1CCCCC1CN.Cl.
What is the InChIKey of 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride?
The InChIKey is DPZMFGBPZIXQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2.ClH/c1-3-7-16-13(19)10-17(2)14(20)11-18-8-5-4-6-12(18)9-15;/h12H,3-11,15H2,1-2H3,(H,16,19);1H.
What are the key properties of 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride?
2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride has a molecular weight of 320.87 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)piperidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119916207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).