(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

C23H26ClN3O3 — CID 97045009

IUPAC(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)o1
InChIInChI=1S/C23H26ClN3O3/c1-14-3-5-19(30-14)13-25-22(28)15(2)16-7-9-27(10-8-16)23(29)21-12-17-11-18(24)4-6-20(17)26-21/h3-6,11-12,15-16,26H,7-10,13H2,1-2H3,(H,25,28)/t15-/m1/s1
InChIKeySQJOYCWMDGMIFV-OAHLLOKOSA-N
MW427.93 g/mol
LogP4.53
Rot. Bonds5

About (2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 97045009) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is (2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
PubChem CID97045009
Molecular FormulaC23H26ClN3O3
Molecular Weight427.93 g/mol
Exact Mass427.17
IUPAC Name(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)o1
InChIInChI=1S/C23H26ClN3O3/c1-14-3-5-19(30-14)13-25-22(28)15(2)16-7-9-27(10-8-16)23(29)21-12-17-11-18(24)4-6-20(17)26-21/h3-6,11-12,15-16,26H,7-10,13H2,1-2H3,(H,25,28)/t15-/m1/s1
InChIKeySQJOYCWMDGMIFV-OAHLLOKOSA-N
XLogP4.53
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide with MolForge

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Related Compounds

2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 50816860
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-(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
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 92879920
(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
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?
The IUPAC name of (2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 97045009) is (2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CNC(=O)[C@H](C)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)o1.
What is the InChIKey of (2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?
The InChIKey is SQJOYCWMDGMIFV-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c1-14-3-5-19(30-14)13-25-22(28)15(2)16-7-9-27(10-8-16)23(29)21-12-17-11-18(24)4-6-20(17)26-21/h3-6,11-12,15-16,26H,7-10,13H2,1-2H3,(H,25,28)/t15-/m1/s1.
What are the key properties of (2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 427.93 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 97045009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).