1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea

C16H26N4O — CID 61340940

IUPAC1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
SMILESCNC(C)c1ccc(NC(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N4O/c1-12(17-2)13-4-6-14(7-5-13)18-16(21)19-15-8-10-20(3)11-9-15/h4-7,12,15,17H,8-11H2,1-3H3,(H2,18,19,21)
InChIKeyMRDLFXHIJDDYFB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.18
Rot. Bonds4

About 1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea

1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea (PubChem CID 61340940) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
PubChem CID61340940
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
SMILESCNC(C)c1ccc(NC(=O)NC2CCN(C)CC2)cc1
InChIInChI=1S/C16H26N4O/c1-12(17-2)13-4-6-14(7-5-13)18-16(21)19-15-8-10-20(3)11-9-15/h4-7,12,15,17H,8-11H2,1-3H3,(H2,18,19,21)
InChIKeyMRDLFXHIJDDYFB-UHFFFAOYSA-N
XLogP2.18
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
N-cyclopropyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61340222
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea
CID 55071535
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
CID 119890834
1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopropane-1-carboxamide
CID 119890827
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1-amino-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 119890851
1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
CID 43744340

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea (CID 61340940) is 1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea is CNC(C)c1ccc(NC(=O)NC2CCN(C)CC2)cc1.
What is the InChIKey of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is MRDLFXHIJDDYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(17-2)13-4-6-14(7-5-13)18-16(21)19-15-8-10-20(3)11-9-15/h4-7,12,15,17H,8-11H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea?
1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 290.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 61340940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).