2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide

C22H24ClN3O3 — CID 50816860

IUPAC2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C22H24ClN3O3/c1-14(21(27)24-13-18-3-2-10-29-18)15-6-8-26(9-7-15)22(28)20-12-16-11-17(23)4-5-19(16)25-20/h2-5,10-12,14-15,25H,6-9,13H2,1H3,(H,24,27)
InChIKeyGSPWBPZMRQFNAG-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.22
Rot. Bonds5

About 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide

2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 50816860) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID50816860
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C22H24ClN3O3/c1-14(21(27)24-13-18-3-2-10-29-18)15-6-8-26(9-7-15)22(28)20-12-16-11-17(23)4-5-19(16)25-20/h2-5,10-12,14-15,25H,6-9,13H2,1H3,(H,24,27)
InChIKeyGSPWBPZMRQFNAG-UHFFFAOYSA-N
XLogP4.22
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 97045009
N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 46376376
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895156
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]propanamide
CID 94089260
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 93077007
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 93077025
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 93077018
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(3R)-3-pyrrolidin-1-ylbutyl]propanamide
CID 93077045
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(3R)-3-pyrrolidin-1-ylbutyl]propanamide
CID 93077047
(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 94089259
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide
CID 93061052
(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 93061049

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide (CID 50816860) is 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide is CC(C(=O)NCc1ccco1)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is GSPWBPZMRQFNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-14(21(27)24-13-18-3-2-10-29-18)15-6-8-26(9-7-15)22(28)20-12-16-11-17(23)4-5-19(16)25-20/h2-5,10-12,14-15,25H,6-9,13H2,1H3,(H,24,27).
What are the key properties of 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide?
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 413.91 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 50816860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).