[1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone

C26H30ClN3O2 — CID 50807615

IUPAC[1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1)N1CCOCC1
InChIInChI=1S/C26H30ClN3O2/c27-23-6-3-4-20(16-23)18-30-24(17-22-5-1-2-7-25(22)30)19-28-10-8-21(9-11-28)26(31)29-12-14-32-15-13-29/h1-7,16-17,21H,8-15,18-19H2
InChIKeyYUOFUGNUADPPQO-UHFFFAOYSA-N
MW452.00 g/mol
LogP4.41
Rot. Bonds5

About [1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 50807615) has the molecular formula C26H30ClN3O2 and a molecular weight of 452.00 g/mol. Its IUPAC name is [1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID50807615
Molecular FormulaC26H30ClN3O2
Molecular Weight452.00 g/mol
Exact Mass451.20
IUPAC Name[1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1)N1CCOCC1
InChIInChI=1S/C26H30ClN3O2/c27-23-6-3-4-20(16-23)18-30-24(17-22-5-1-2-7-25(22)30)19-28-10-8-21(9-11-28)26(31)29-12-14-32-15-13-29/h1-7,16-17,21H,8-15,18-19H2
InChIKeyYUOFUGNUADPPQO-UHFFFAOYSA-N
XLogP4.41
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-[[1-[(3-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 50807625
[1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 50807824
1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 50807682
1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 94083872
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900654
[1-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42216623
1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491
[1-[(3-chlorophenyl)methyl]-6-phenylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 42869813
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 124961439
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435209

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 50807615) is [1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(Cc2cc3ccccc3n2Cc2cccc(Cl)c2)CC1)N1CCOCC1.
What is the InChIKey of [1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YUOFUGNUADPPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2/c27-23-6-3-4-20(16-23)18-30-24(17-22-5-1-2-7-25(22)30)19-28-10-8-21(9-11-28)26(31)29-12-14-32-15-13-29/h1-7,16-17,21H,8-15,18-19H2.
What are the key properties of [1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 452.00 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50807615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).