1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea

C25H30N4O — CID 118354280

IUPAC1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea
SMILESCC(NC(=O)N(C)C1CCN(C)CC1)c1ccc(-c2ccncc2)c2ccccc12
InChIInChI=1S/C25H30N4O/c1-18(27-25(30)29(3)20-12-16-28(2)17-13-20)21-8-9-22(19-10-14-26-15-11-19)24-7-5-4-6-23(21)24/h4-11,14-15,18,20H,12-13,16-17H2,1-3H3,(H,27,30)
InChIKeyXFORDYHSNMJJHD-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.70
Rot. Bonds4

About 1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea

1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea (PubChem CID 118354280) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea
PubChem CID118354280
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea
SMILESCC(NC(=O)N(C)C1CCN(C)CC1)c1ccc(-c2ccncc2)c2ccccc12
InChIInChI=1S/C25H30N4O/c1-18(27-25(30)29(3)20-12-16-28(2)17-13-20)21-8-9-22(19-10-14-26-15-11-19)24-7-5-4-6-23(21)24/h4-11,14-15,18,20H,12-13,16-17H2,1-3H3,(H,27,30)
InChIKeyXFORDYHSNMJJHD-UHFFFAOYSA-N
XLogP4.70
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2,3-dichloro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 118354474
1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea
CID 72673296
3-[1-[2,3-dichloro-4-(3-cyanophenyl)phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 118354119
3-[1-[2,3-dichloro-4-(1H-pyrazolo[4,5-b]pyridin-5-yl)phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 129137663
3-[1-[2,3-dichloro-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 118354332
3-[1-[2,3-dichloro-4-(2-thiophen-2-ylethenyl)phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 123726490
1-methyl-1-(4-methylcyclohexyl)-3-(1-pyridin-4-ylethyl)urea
CID 86999651
3-[1-[2,3-dichloro-4-[5-(fluoromethyl)thiophen-2-yl]phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 118354578
N-methyl-N-(1-methylpiperidin-4-yl)-5-(3-oxo-1,2-dihydroinden-2-yl)-4-pyridin-4-ylthiophene-2-carboxamide
CID 91311253
3-[[3-chloro-2-methyl-4-[5-(1H-pyrrol-2-yl)-3-pyridinyl]phenyl]-cyanomethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 155002631
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
CID 16813051
3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61189781

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea (CID 118354280) is 1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea is CC(NC(=O)N(C)C1CCN(C)CC1)c1ccc(-c2ccncc2)c2ccccc12.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea?
The InChIKey is XFORDYHSNMJJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-18(27-25(30)29(3)20-12-16-28(2)17-13-20)21-8-9-22(19-10-14-26-15-11-19)24-7-5-4-6-23(21)24/h4-11,14-15,18,20H,12-13,16-17H2,1-3H3,(H,27,30).
What are the key properties of 1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea?
1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea has a molecular weight of 402.54 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-4-yl)-3-[1-(4-pyridin-4-ylnaphthalen-1-yl)ethyl]urea is sourced from PubChem (CID 118354280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).