[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea

C18H24N4O2 — CID 98572904

IUPAC[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea
SMILESCc1cn(CC(=O)N2CCCC[C@@H]2CNC(N)=O)c2ccccc12
InChIInChI=1S/C18H24N4O2/c1-13-11-21(16-8-3-2-7-15(13)16)12-17(23)22-9-5-4-6-14(22)10-20-18(19)24/h2-3,7-8,11,14H,4-6,9-10,12H2,1H3,(H3,19,20,24)/t14-/m1/s1
InChIKeyKDLYAXCMNHWYBC-CQSZACIVSA-N
MW328.42 g/mol
LogP2.00
Rot. Bonds4

About [(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea

[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea (PubChem CID 98572904) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea
PubChem CID98572904
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea
SMILESCc1cn(CC(=O)N2CCCC[C@@H]2CNC(N)=O)c2ccccc12
InChIInChI=1S/C18H24N4O2/c1-13-11-21(16-8-3-2-7-15(13)16)12-17(23)22-9-5-4-6-14(22)10-20-18(19)24/h2-3,7-8,11,14H,4-6,9-10,12H2,1H3,(H3,19,20,24)/t14-/m1/s1
InChIKeyKDLYAXCMNHWYBC-CQSZACIVSA-N
XLogP2.00
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94363141
[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methylurea
CID 95298468
1-(2-ethylpiperidin-1-yl)-2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]ethanone
CID 43958360
N-[(2-hydroxycyclopentyl)methyl]-2-(3-methylindol-1-yl)acetamide
CID 111464102
2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 43958345
1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone
CID 110910723
1-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one;hydrochloride
CID 119650725
(2S,5S)-5-(methylcarbamoyl)-1-[2-(3-methylindol-1-yl)acetyl]piperidine-2-carboxylic acid
CID 167763035
[1-(4-phenylcyclohexanecarbonyl)piperidin-2-yl]methylurea
CID 102602951
3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578364
[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
CID 119313337

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea?
The IUPAC name of [(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea (CID 98572904) is [(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea.
What is the SMILES notation for [(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea?
The canonical SMILES for [(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea is Cc1cn(CC(=O)N2CCCC[C@@H]2CNC(N)=O)c2ccccc12.
What is the InChIKey of [(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea?
The InChIKey is KDLYAXCMNHWYBC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-21(16-8-3-2-7-15(13)16)12-17(23)22-9-5-4-6-14(22)10-20-18(19)24/h2-3,7-8,11,14H,4-6,9-10,12H2,1H3,(H3,19,20,24)/t14-/m1/s1.
What are the key properties of [(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea?
[(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea has a molecular weight of 328.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(3-methylindol-1-yl)acetyl]piperidin-2-yl]methylurea is sourced from PubChem (CID 98572904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).