3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C17H27ClN2O — CID 119824323

IUPAC3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cc(C)cc(C)c1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-9-19(16-5-7-18-8-6-16)17(20)15-11-13(2)10-14(3)12-15;/h10-12,16,18H,4-9H2,1-3H3;1H
InChIKeyTUMFGWZKVIZXHX-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.33
Rot. Bonds4

About 3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119824323) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119824323
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cc(C)cc(C)c1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-4-9-19(16-5-7-18-8-6-16)17(20)15-11-13(2)10-14(3)12-15;/h10-12,16,18H,4-9H2,1-3H3;1H
InChIKeyTUMFGWZKVIZXHX-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
3-methyl-4-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824847
4-(difluoromethoxy)-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide
CID 119825913
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826418

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119824323) is 3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1cc(C)cc(C)c1)C1CCNCC1.Cl.
What is the InChIKey of 3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is TUMFGWZKVIZXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-4-9-19(16-5-7-18-8-6-16)17(20)15-11-13(2)10-14(3)12-15;/h10-12,16,18H,4-9H2,1-3H3;1H.
What are the key properties of 3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119824323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).