4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

C22H29ClN4O2 — CID 119824537

IUPAC4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C22H28N4O2.ClH/c1-2-16-26(20-12-14-23-15-13-20)21(27)17-8-10-19(11-9-17)25-22(28)24-18-6-4-3-5-7-18;/h3-11,20,23H,2,12-16H2,1H3,(H2,24,25,28);1H
InChIKeyWGPHWCFTDUFZTD-UHFFFAOYSA-N
MW416.95 g/mol
LogP4.36
Rot. Bonds6

About 4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride

4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (PubChem CID 119824537) has the molecular formula C22H29ClN4O2 and a molecular weight of 416.95 g/mol. Its IUPAC name is 4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
PubChem CID119824537
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC Name4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C22H28N4O2.ClH/c1-2-16-26(20-12-14-23-15-13-20)21(27)17-8-10-19(11-9-17)25-22(28)24-18-6-4-3-5-7-18;/h3-11,20,23H,2,12-16H2,1H3,(H2,24,25,28);1H
InChIKeyWGPHWCFTDUFZTD-UHFFFAOYSA-N
XLogP4.36
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826264
4-(carbamoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530230
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
3-(cyclopropylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826265
4-(2-methylpropanoylamino)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119532098
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906
4-(tert-butylsulfamoyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823590
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528

Frequently Asked Questions

What is the IUPAC name of 4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride (CID 119824537) is 4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is CCCN(C(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)C1CCNCC1.Cl.
What is the InChIKey of 4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
The InChIKey is WGPHWCFTDUFZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.ClH/c1-2-16-26(20-12-14-23-15-13-20)21(27)17-8-10-19(11-9-17)25-22(28)24-18-6-4-3-5-7-18;/h3-11,20,23H,2,12-16H2,1H3,(H2,24,25,28);1H.
What are the key properties of 4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride?
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride has a molecular weight of 416.95 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119824537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).