(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide

C23H33N3O3 — CID 92503706

IUPAC(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCC(C)C)CC3)[nH]c2c1
InChIInChI=1S/C23H33N3O3/c1-15(2)7-10-24-22(27)16(3)17-8-11-26(12-9-17)23(28)21-13-18-5-6-19(29-4)14-20(18)25-21/h5-6,13-17,25H,7-12H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyNQNGBLKOJDBDTL-INIZCTEOSA-N
MW399.54 g/mol
LogP3.83
Rot. Bonds7

About (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide

(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide (PubChem CID 92503706) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
PubChem CID92503706
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCC(C)C)CC3)[nH]c2c1
InChIInChI=1S/C23H33N3O3/c1-15(2)7-10-24-22(27)16(3)17-8-11-26(12-9-17)23(28)21-13-18-5-6-19(29-4)14-20(18)25-21/h5-6,13-17,25H,7-12H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyNQNGBLKOJDBDTL-INIZCTEOSA-N
XLogP3.83
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-propylpropanamide
CID 92503700
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92503758
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 92503749
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92765247
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503701
(2R)-N-cyclohexyl-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503737
2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 20971114
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92503728
(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503741
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895153
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503745
N-[(2S)-butan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 93076979

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide (CID 92503706) is (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide is COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCC(C)C)CC3)[nH]c2c1.
What is the InChIKey of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is NQNGBLKOJDBDTL-INIZCTEOSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-15(2)7-10-24-22(27)16(3)17-8-11-26(12-9-17)23(28)21-13-18-5-6-19(29-4)14-20(18)25-21/h5-6,13-17,25H,7-12H2,1-4H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide?
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 399.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 92503706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).