1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea

C22H30N4O — CID 72848016

IUPAC1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea
SMILESCC1CCCCN1Cc1cccc(NC(=O)N(C)CCc2ccccn2)c1
InChIInChI=1S/C22H30N4O/c1-18-8-4-6-14-26(18)17-19-9-7-11-21(16-19)24-22(27)25(2)15-12-20-10-3-5-13-23-20/h3,5,7,9-11,13,16,18H,4,6,8,12,14-15,17H2,1-2H3,(H,24,27)
InChIKeyIBLBSEJBNUEPSN-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.16
Rot. Bonds6

About 1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea

1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea (PubChem CID 72848016) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea
PubChem CID72848016
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea
SMILESCC1CCCCN1Cc1cccc(NC(=O)N(C)CCc2ccccn2)c1
InChIInChI=1S/C22H30N4O/c1-18-8-4-6-14-26(18)17-19-9-7-11-21(16-19)24-22(27)25(2)15-12-20-10-3-5-13-23-20/h3,5,7,9-11,13,16,18H,4,6,8,12,14-15,17H2,1-2H3,(H,24,27)
InChIKeyIBLBSEJBNUEPSN-UHFFFAOYSA-N
XLogP4.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-(2-methylpiperidine-1-carbonyl)phenyl]-1-(2-pyridin-2-ylethyl)urea
CID 87010519
3-(4-cyclopentylsulfonylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86988743
N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 72895536
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
1-methyl-1-(2-pyridin-2-ylethyl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86994772
1-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
CID 118779593
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
1-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 125179187
3-(2,6-diethylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86987284
1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 97452094
[4-[(2-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888634
2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92627356

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea (CID 72848016) is 1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea is CC1CCCCN1Cc1cccc(NC(=O)N(C)CCc2ccccn2)c1.
What is the InChIKey of 1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is IBLBSEJBNUEPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18-8-4-6-14-26(18)17-19-9-7-11-21(16-19)24-22(27)25(2)15-12-20-10-3-5-13-23-20/h3,5,7,9-11,13,16,18H,4,6,8,12,14-15,17H2,1-2H3,(H,24,27).
What are the key properties of 1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea?
1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 366.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 72848016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).