4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C17H27ClN2O — CID 119823008

IUPAC4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(CC)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-13-19(16-9-11-18-12-10-16)17(20)15-7-5-14(4-2)6-8-15;/h5-8,16,18H,3-4,9-13H2,1-2H3;1H
InChIKeyFHGZQUGLOLGFRG-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.28
Rot. Bonds5

About 4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119823008) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119823008
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(CC)cc1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-13-19(16-9-11-18-12-10-16)17(20)15-7-5-14(4-2)6-8-15;/h5-8,16,18H,3-4,9-13H2,1-2H3;1H
InChIKeyFHGZQUGLOLGFRG-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824388
4-[(ethylsulfonylamino)methyl]-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825087
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide
CID 119824648
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-piperidin-4-yl-N-propylbenzamide
CID 124682981
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119823008) is 4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(CC)cc1)C1CCNCC1.Cl.
What is the InChIKey of 4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is FHGZQUGLOLGFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-3-13-19(16-9-11-18-12-10-16)17(20)15-7-5-14(4-2)6-8-15;/h5-8,16,18H,3-4,9-13H2,1-2H3;1H.
What are the key properties of 4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119823008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).