5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride

C17H34ClN3O2 — CID 119469783

IUPAC5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-3-11-19(12-4-2)16(21)9-7-10-17(22)20-13-6-5-8-15(20)14-18;/h15H,3-14,18H2,1-2H3;1H
InChIKeyWCCUOTYZIUEYRA-UHFFFAOYSA-N
MW347.93 g/mol
LogP2.57
Rot. Bonds9

About 5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride

5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride (PubChem CID 119469783) has the molecular formula C17H34ClN3O2 and a molecular weight of 347.93 g/mol. Its IUPAC name is 5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride.

Molecular Properties

Compound Name5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride
PubChem CID119469783
Molecular FormulaC17H34ClN3O2
Molecular Weight347.93 g/mol
Exact Mass347.23
IUPAC Name5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-3-11-19(12-4-2)16(21)9-7-10-17(22)20-13-6-5-8-15(20)14-18;/h15H,3-14,18H2,1-2H3;1H
InChIKeyWCCUOTYZIUEYRA-UHFFFAOYSA-N
XLogP2.57
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(aminomethyl)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 119466435
1-[(2R)-2-(aminomethyl)piperidin-1-yl]tridecan-1-one
CID 129384436
1-[2-(aminomethyl)piperidin-1-yl]decan-1-one
CID 65428281
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119466604
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
N-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]butanamide;hydrochloride
CID 119468639
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 119466304
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2-ethoxybenzamide;hydrochloride
CID 119467613
N-[4-[2-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-4-fluoro-N-methylbenzenesulfonamide;hydrochloride
CID 119466785
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119469367

Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride?
The IUPAC name of 5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride (CID 119469783) is 5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride.
What is the SMILES notation for 5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride?
The canonical SMILES for 5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride is CCCN(CCC)C(=O)CCCC(=O)N1CCCCC1CN.Cl.
What is the InChIKey of 5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride?
The InChIKey is WCCUOTYZIUEYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.ClH/c1-3-11-19(12-4-2)16(21)9-7-10-17(22)20-13-6-5-8-15(20)14-18;/h15H,3-14,18H2,1-2H3;1H.
What are the key properties of 5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride?
5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)piperidin-1-yl]-5-oxo-N,N-dipropylpentanamide;hydrochloride is sourced from PubChem (CID 119469783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).