[2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride

C24H33ClN4O3 — CID 70102481

IUPAC[2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
SMILESCOc1c(C)ccc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c1NC(N)=O.Cl
InChIInChI=1S/C24H32N4O3.ClH/c1-17-9-10-20(21(22(17)31-3)26-24(25)30)23(29)28-15-12-19(13-16-28)27(2)14-11-18-7-5-4-6-8-18;/h4-10,19H,11-16H2,1-3H3,(H3,25,26,30);1H
InChIKeyKRXGVEQQWNTHTN-UHFFFAOYSA-N
MW461.01 g/mol
LogP3.70
Rot. Bonds7

About [2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride

[2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride (PubChem CID 70102481) has the molecular formula C24H33ClN4O3 and a molecular weight of 461.01 g/mol. Its IUPAC name is [2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride.

Molecular Properties

Compound Name[2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
PubChem CID70102481
Molecular FormulaC24H33ClN4O3
Molecular Weight461.01 g/mol
Exact Mass460.22
IUPAC Name[2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
SMILESCOc1c(C)ccc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c1NC(N)=O.Cl
InChIInChI=1S/C24H32N4O3.ClH/c1-17-9-10-20(21(22(17)31-3)26-24(25)30)23(29)28-15-12-19(13-16-28)27(2)14-11-18-7-5-4-6-8-18;/h4-10,19H,11-16H2,1-3H3,(H3,25,26,30);1H
InChIKeyKRXGVEQQWNTHTN-UHFFFAOYSA-N
XLogP3.70
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.01
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride with MolForge

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Related Compounds

[3,5-dimethyl-4-(propylamino)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 102052463
2-amino-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285133
(4-amino-2-chlorophenyl)-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone;oxalic acid
CID 23284988
2-(dimethylamino)-1-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]ethanone;dihydrochloride
CID 23285051
1-tert-butyl-1-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 70103958
[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 23284910
1,1,3-trimethyl-3-[4-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 23285019
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 23284984
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(3-methylpyrazol-1-yl)phenyl]methanone
CID 23285129
methyl 2-[[(3R)-3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]benzoate
CID 25460964
[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 23285008

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride?
The IUPAC name of [2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride (CID 70102481) is [2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride.
What is the SMILES notation for [2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride?
The canonical SMILES for [2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride is COc1c(C)ccc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c1NC(N)=O.Cl.
What is the InChIKey of [2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride?
The InChIKey is KRXGVEQQWNTHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3.ClH/c1-17-9-10-20(21(22(17)31-3)26-24(25)30)23(29)28-15-12-19(13-16-28)27(2)14-11-18-7-5-4-6-8-18;/h4-10,19H,11-16H2,1-3H3,(H3,25,26,30);1H.
What are the key properties of [2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride?
[2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride has a molecular weight of 461.01 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-methyl-6-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]phenyl]urea;hydrochloride is sourced from PubChem (CID 70102481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).