1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one

C20H23ClN4O — CID 159101512

IUPAC1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one
SMILESO=C(CCc1ncc[nH]1)C1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H23ClN4O/c21-16-1-2-18-17(11-16)15(12-24-18)13-25-9-5-14(6-10-25)19(26)3-4-20-22-7-8-23-20/h1-2,7-8,11-12,14,24H,3-6,9-10,13H2,(H,22,23)
InChIKeyOYNVOHULRSOJMT-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.96
Rot. Bonds6

About 1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one

1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one (PubChem CID 159101512) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one
PubChem CID159101512
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one
SMILESO=C(CCc1ncc[nH]1)C1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C20H23ClN4O/c21-16-1-2-18-17(11-16)15(12-24-18)13-25-9-5-14(6-10-25)19(26)3-4-20-22-7-8-23-20/h1-2,7-8,11-12,14,24H,3-6,9-10,13H2,(H,22,23)
InChIKeyOYNVOHULRSOJMT-UHFFFAOYSA-N
XLogP3.96
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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7-[(5-chloro-1H-indol-3-yl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one?
The IUPAC name of 1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one (CID 159101512) is 1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one?
The canonical SMILES for 1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one is O=C(CCc1ncc[nH]1)C1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one?
The InChIKey is OYNVOHULRSOJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c21-16-1-2-18-17(11-16)15(12-24-18)13-25-9-5-14(6-10-25)19(26)3-4-20-22-7-8-23-20/h1-2,7-8,11-12,14,24H,3-6,9-10,13H2,(H,22,23).
What are the key properties of 1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one?
1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one has a molecular weight of 370.88 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1H-imidazol-2-yl)propan-1-one is sourced from PubChem (CID 159101512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).