1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine

C19H26ClN5O — CID 165120065

IUPAC1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine
SMILESCNC(=O)NCc1ccc(Cl)c(C)c1.c1cnc(N2CCCCC2)cn1
InChIInChI=1S/C10H13ClN2O.C9H13N3/c1-7-5-8(3-4-9(7)11)6-13-10(14)12-2;1-2-6-12(7-3-1)9-8-10-4-5-11-9/h3-5H,6H2,1-2H3,(H2,12,13,14);4-5,8H,1-3,6-7H2
InChIKeyYXRYVPSTHHOCJH-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.54
Rot. Bonds3

About 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine

1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine (PubChem CID 165120065) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine.

Molecular Properties

Compound Name1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine
PubChem CID165120065
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC Name1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine
SMILESCNC(=O)NCc1ccc(Cl)c(C)c1.c1cnc(N2CCCCC2)cn1
InChIInChI=1S/C10H13ClN2O.C9H13N3/c1-7-5-8(3-4-9(7)11)6-13-10(14)12-2;1-2-6-12(7-3-1)9-8-10-4-5-11-9/h3-5H,6H2,1-2H3,(H2,12,13,14);4-5,8H,1-3,6-7H2
InChIKeyYXRYVPSTHHOCJH-UHFFFAOYSA-N
XLogP3.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea
CID 131998616
1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine
CID 165119858
1-(4-chloro-3-methylphenyl)-N-methylmethanamine;formamide;5-methyl-2-piperidin-1-ylpyridine
CID 165120118
2-(4-chloro-3-methylphenoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
CID 55745410
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 86899195
1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine
CID 165119475
methyl 4-[[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzoate
CID 55770129
1-methyl-3-(naphthalen-2-ylmethyl)urea;molecular hydrogen;3-piperidin-1-ylpyridazine
CID 165119785
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
2,5-dichloro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735153

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine?
The IUPAC name of 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine (CID 165120065) is 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine.
What is the SMILES notation for 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine?
The canonical SMILES for 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine is CNC(=O)NCc1ccc(Cl)c(C)c1.c1cnc(N2CCCCC2)cn1.
What is the InChIKey of 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine?
The InChIKey is YXRYVPSTHHOCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O.C9H13N3/c1-7-5-8(3-4-9(7)11)6-13-10(14)12-2;1-2-6-12(7-3-1)9-8-10-4-5-11-9/h3-5H,6H2,1-2H3,(H2,12,13,14);4-5,8H,1-3,6-7H2.
What are the key properties of 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine?
1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine has a molecular weight of 375.90 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine is sourced from PubChem (CID 165120065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).