1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea

C23H32N4O — CID 167926144

IUPAC1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea
SMILESCC1CCN(CCc2cccc(NC(=O)Nc3ccc(C(C)N)cc3)c2)CC1
InChIInChI=1S/C23H32N4O/c1-17-10-13-27(14-11-17)15-12-19-4-3-5-22(16-19)26-23(28)25-21-8-6-20(7-9-21)18(2)24/h3-9,16-18H,10-15,24H2,1-2H3,(H2,25,26,28)
InChIKeyHUBWIAXZHRANET-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.62
Rot. Bonds6

About 1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea

1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea (PubChem CID 167926144) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea
PubChem CID167926144
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea
SMILESCC1CCN(CCc2cccc(NC(=O)Nc3ccc(C(C)N)cc3)c2)CC1
InChIInChI=1S/C23H32N4O/c1-17-10-13-27(14-11-17)15-12-19-4-3-5-22(16-19)26-23(28)25-21-8-6-20(7-9-21)18(2)24/h3-9,16-18H,10-15,24H2,1-2H3,(H2,25,26,28)
InChIKeyHUBWIAXZHRANET-UHFFFAOYSA-N
XLogP4.62
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[2-(4-methylpiperidin-1-yl)ethyl]aniline
CID 71219351
3-(imidazol-1-ylmethyl)-N-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]benzamide
CID 155946258
1-[3-(hydroxymethyl)phenyl]-3-(4-propan-2-ylphenyl)urea
CID 131994372
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
1-[4-(1-aminoethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
CID 107415057
1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
1-(3-ethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61348000
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
1-[3-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]phenyl]-3-(6-methyl-3-pyridinyl)urea
CID 66677091
N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 61340159
N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 16886993
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111056700

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea (CID 167926144) is 1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea is CC1CCN(CCc2cccc(NC(=O)Nc3ccc(C(C)N)cc3)c2)CC1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea?
The InChIKey is HUBWIAXZHRANET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-17-10-13-27(14-11-17)15-12-19-4-3-5-22(16-19)26-23(28)25-21-8-6-20(7-9-21)18(2)24/h3-9,16-18H,10-15,24H2,1-2H3,(H2,25,26,28).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea?
1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea has a molecular weight of 380.54 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]-3-[3-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]urea is sourced from PubChem (CID 167926144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).