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

C17H29Cl2N5O2 — CID 119890834

IUPAC2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
SMILESCN1CCC(NC(=O)Nc2ccc(NC(=O)C(C)(C)N)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N5O2.2ClH/c1-17(2,18)15(23)19-12-4-6-13(7-5-12)20-16(24)21-14-8-10-22(3)11-9-14;;/h4-7,14H,8-11,18H2,1-3H3,(H,19,23)(H2,20,21,24);2*1H
InChIKeyJQCYVEHDZOZXSP-UHFFFAOYSA-N
MW406.36 g/mol
LogP2.42
Rot. Bonds4

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

2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride (PubChem CID 119890834) has the molecular formula C17H29Cl2N5O2 and a molecular weight of 406.36 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
PubChem CID119890834
Molecular FormulaC17H29Cl2N5O2
Molecular Weight406.36 g/mol
Exact Mass405.17
IUPAC Name2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
SMILESCN1CCC(NC(=O)Nc2ccc(NC(=O)C(C)(C)N)cc2)CC1.Cl.Cl
InChIInChI=1S/C17H27N5O2.2ClH/c1-17(2,18)15(23)19-12-4-6-13(7-5-12)20-16(24)21-14-8-10-22(3)11-9-14;;/h4-7,14H,8-11,18H2,1-3H3,(H,19,23)(H2,20,21,24);2*1H
InChIKeyJQCYVEHDZOZXSP-UHFFFAOYSA-N
XLogP2.42
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120597102
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
1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 119890851
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 61340940
4-[(2-amino-2-methylpropanoyl)amino]-N-cyclopropylbenzamide
CID 61265004
3-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]benzamide;dihydrochloride
CID 119890862
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
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
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride (CID 119890834) is 2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride is CN1CCC(NC(=O)Nc2ccc(NC(=O)C(C)(C)N)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride?
The InChIKey is JQCYVEHDZOZXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2.2ClH/c1-17(2,18)15(23)19-12-4-6-13(7-5-12)20-16(24)21-14-8-10-22(3)11-9-14;;/h4-7,14H,8-11,18H2,1-3H3,(H,19,23)(H2,20,21,24);2*1H.
What are the key properties of 2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride?
2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride has a molecular weight of 406.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119890834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).