1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea

C20H27N5O3 — CID 118766700

IUPAC1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea
SMILESCOCC(NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccnn1C
InChIInChI=1S/C20H27N5O3/c1-24-18(9-10-21-24)17(14-28-2)23-20(27)22-16-8-6-7-15(13-16)19(26)25-11-4-3-5-12-25/h6-10,13,17H,3-5,11-12,14H2,1-2H3,(H2,22,23,27)
InChIKeyGYZBFVICGWSLAV-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.56
Rot. Bonds6

About 1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea

1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea (PubChem CID 118766700) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea
PubChem CID118766700
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea
SMILESCOCC(NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccnn1C
InChIInChI=1S/C20H27N5O3/c1-24-18(9-10-21-24)17(14-28-2)23-20(27)22-16-8-6-7-15(13-16)19(26)25-11-4-3-5-12-25/h6-10,13,17H,3-5,11-12,14H2,1-2H3,(H2,22,23,27)
InChIKeyGYZBFVICGWSLAV-UHFFFAOYSA-N
XLogP2.56
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 55649667
1-[3-(azepane-1-carbonyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
CID 72860619
1-[3-(azepane-1-carbonyl)phenyl]-3-[(1S)-1-(4-fluorophenyl)ethyl]urea
CID 97436456
2-(3-methoxypropylamino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54828810
3-[[3-(piperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122077035
1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
CID 49284029
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
1-[3-(4-methylpiperazine-1-carbonyl)phenyl]-3-[(2R)-4-pyrazol-1-ylbutan-2-yl]urea
CID 97443912
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435
3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833646
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 97443682

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea (CID 118766700) is 1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea is COCC(NC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)c1ccnn1C.
What is the InChIKey of 1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea?
The InChIKey is GYZBFVICGWSLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-24-18(9-10-21-24)17(14-28-2)23-20(27)22-16-8-6-7-15(13-16)19(26)25-11-4-3-5-12-25/h6-10,13,17H,3-5,11-12,14H2,1-2H3,(H2,22,23,27).
What are the key properties of 1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea?
1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea has a molecular weight of 385.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 118766700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).