1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide

C17H25N5O2 — CID 119890827

IUPAC1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide
SMILESCN1CCC(NC(=O)Nc2ccc(NC(=O)C3(N)CC3)cc2)CC1
InChIInChI=1S/C17H25N5O2/c1-22-10-6-14(7-11-22)21-16(24)20-13-4-2-12(3-5-13)19-15(23)17(18)8-9-17/h2-5,14H,6-11,18H2,1H3,(H,19,23)(H2,20,21,24)
InChIKeyOJBWCFFXIWRKGM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.33
Rot. Bonds4

About 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide

1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 119890827) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide
PubChem CID119890827
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide
SMILESCN1CCC(NC(=O)Nc2ccc(NC(=O)C3(N)CC3)cc2)CC1
InChIInChI=1S/C17H25N5O2/c1-22-10-6-14(7-11-22)21-16(24)20-13-4-2-12(3-5-13)19-15(23)17(18)8-9-17/h2-5,14H,6-11,18H2,1H3,(H,19,23)(H2,20,21,24)
InChIKeyOJBWCFFXIWRKGM-UHFFFAOYSA-N
XLogP1.33
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 119890851
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
CID 119890834
2-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120597102
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
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
CID 43744340
3-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]benzamide;dihydrochloride
CID 119890862
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 119704508

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide (CID 119890827) is 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide is CN1CCC(NC(=O)Nc2ccc(NC(=O)C3(N)CC3)cc2)CC1.
What is the InChIKey of 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is OJBWCFFXIWRKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-22-10-6-14(7-11-22)21-16(24)20-13-4-2-12(3-5-13)19-15(23)17(18)8-9-17/h2-5,14H,6-11,18H2,1H3,(H,19,23)(H2,20,21,24).
What are the key properties of 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide?
1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119890827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).