1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea

C19H29N3O — CID 78882437

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCN(CCNC(=O)NCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C19H29N3O/c1-15-7-10-22(11-8-15)12-9-20-19(23)21-14-16-5-6-17-3-2-4-18(17)13-16/h5-6,13,15H,2-4,7-12,14H2,1H3,(H2,20,21,23)
InChIKeyXPLPKUQZVQQDKR-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.71
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (PubChem CID 78882437) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
PubChem CID78882437
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCN(CCNC(=O)NCc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C19H29N3O/c1-15-7-10-22(11-8-15)12-9-20-19(23)21-14-16-5-6-17-3-2-4-18(17)13-16/h5-6,13,15H,2-4,7-12,14H2,1H3,(H2,20,21,23)
InChIKeyXPLPKUQZVQQDKR-UHFFFAOYSA-N
XLogP2.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
CID 110774865
1-[4-(4-methylpiperidin-1-yl)butyl]-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 78890485
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyl-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415458
(2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
CID 100660405
1-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 61241468
2-(methylamino)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)acetamide
CID 82495806
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(ethylamino)acetamide
CID 115157865
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea
CID 51952341
1-[(4-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108899068
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 78879228
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443750

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea (CID 78882437) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is CC1CCN(CCNC(=O)NCc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is XPLPKUQZVQQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15-7-10-22(11-8-15)12-9-20-19(23)21-14-16-5-6-17-3-2-4-18(17)13-16/h5-6,13,15H,2-4,7-12,14H2,1H3,(H2,20,21,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 315.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 78882437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).