2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride

C22H31Cl2N5O2 — CID 120597102

IUPAC2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
SMILESCN1CCC(NC(=O)Nc2ccc(NC(=O)C(C)(N)c3ccccc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C22H29N5O2.2ClH/c1-22(23,16-6-4-3-5-7-16)20(28)24-17-8-10-18(11-9-17)25-21(29)26-19-12-14-27(2)15-13-19;;/h3-11,19H,12-15,23H2,1-2H3,(H,24,28)(H2,25,26,29);2*1H
InChIKeyXMANJOLNGXARIY-UHFFFAOYSA-N
MW468.43 g/mol
LogP3.56
Rot. Bonds5

About 2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride

2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride (PubChem CID 120597102) has the molecular formula C22H31Cl2N5O2 and a molecular weight of 468.43 g/mol. Its IUPAC name is 2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
PubChem CID120597102
Molecular FormulaC22H31Cl2N5O2
Molecular Weight468.43 g/mol
Exact Mass467.19
IUPAC Name2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
SMILESCN1CCC(NC(=O)Nc2ccc(NC(=O)C(C)(N)c3ccccc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C22H29N5O2.2ClH/c1-22(23,16-6-4-3-5-7-16)20(28)24-17-8-10-18(11-9-17)25-21(29)26-19-12-14-27(2)15-13-19;;/h3-11,19H,12-15,23H2,1-2H3,(H,24,28)(H2,25,26,29);2*1H
InChIKeyXMANJOLNGXARIY-UHFFFAOYSA-N
XLogP3.56
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
CID 119890834
4-[(2-amino-2-phenylpropanoyl)amino]-N-cyclohexylbenzamide;hydrochloride
CID 120590090
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylpropanamide;hydrochloride
CID 120587710
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide
CID 119890827
2-amino-2-phenyl-N-(1-phenylpiperidin-4-yl)propanamide
CID 120595916
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
1-[3-(1,1-difluoroethyl)phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 99823447
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
3-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]benzamide;dihydrochloride
CID 119890862
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120595365
2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride
CID 120587797

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride (CID 120597102) is 2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride is CN1CCC(NC(=O)Nc2ccc(NC(=O)C(C)(N)c3ccccc3)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride?
The InChIKey is XMANJOLNGXARIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2.2ClH/c1-22(23,16-6-4-3-5-7-16)20(28)24-17-8-10-18(11-9-17)25-21(29)26-19-12-14-27(2)15-13-19;;/h3-11,19H,12-15,23H2,1-2H3,(H,24,28)(H2,25,26,29);2*1H.
What are the key properties of 2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride?
2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride has a molecular weight of 468.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120597102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).