1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea

C21H31N3O — CID 56800080

IUPAC1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NC1CCN(CC2CCCC2)CC1)NC1CCc2ccccc21
InChIInChI=1S/C21H31N3O/c25-21(23-20-10-9-17-7-3-4-8-19(17)20)22-18-11-13-24(14-12-18)15-16-5-1-2-6-16/h3-4,7-8,16,18,20H,1-2,5-6,9-15H2,(H2,22,23,25)
InChIKeyXVNFMRBMXURCIZ-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.63
Rot. Bonds4

About 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea

1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 56800080) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea
PubChem CID56800080
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea
SMILESO=C(NC1CCN(CC2CCCC2)CC1)NC1CCc2ccccc21
InChIInChI=1S/C21H31N3O/c25-21(23-20-10-9-17-7-3-4-8-19(17)20)22-18-11-13-24(14-12-18)15-16-5-1-2-6-16/h3-4,7-8,16,18,20H,1-2,5-6,9-15H2,(H2,22,23,25)
InChIKeyXVNFMRBMXURCIZ-UHFFFAOYSA-N
XLogP3.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94030270
1-(2,3-dihydro-1H-inden-1-yl)-3-(1,1-dioxothiolan-3-yl)urea
CID 47127977
2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)cycloheptane-1-carboxamide
CID 146081380
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51127812
1-(2-bromoethyl)-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 59355774
1-(2-adamantyl)-3-[(1R)-2,3-dihydro-1H-inden-1-yl]urea
CID 129394390
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(2-fluoroethyl)urea
CID 24983548
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
2-amino-N-(2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 64824104
1-(2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936507

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea (CID 56800080) is 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea is O=C(NC1CCN(CC2CCCC2)CC1)NC1CCc2ccccc21.
What is the InChIKey of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is XVNFMRBMXURCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c25-21(23-20-10-9-17-7-3-4-8-19(17)20)22-18-11-13-24(14-12-18)15-16-5-1-2-6-16/h3-4,7-8,16,18,20H,1-2,5-6,9-15H2,(H2,22,23,25).
What are the key properties of 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea?
1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 341.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)piperidin-4-yl]-3-(2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 56800080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).