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

C24H34N4O3 — CID 92503758

IUPAC(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCN4CCCC4)CC3)[nH]c2c1
InChIInChI=1S/C24H34N4O3/c1-17(23(29)25-9-14-27-10-3-4-11-27)18-7-12-28(13-8-18)24(30)22-15-19-5-6-20(31-2)16-21(19)26-22/h5-6,15-18,26H,3-4,7-14H2,1-2H3,(H,25,29)/t17-/m0/s1
InChIKeyJFUUSYXZHPYWNS-KRWDZBQOSA-N
MW426.56 g/mol
LogP2.88
Rot. Bonds7

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

(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 92503758) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID92503758
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCN4CCCC4)CC3)[nH]c2c1
InChIInChI=1S/C24H34N4O3/c1-17(23(29)25-9-14-27-10-3-4-11-27)18-7-12-28(13-8-18)24(30)22-15-19-5-6-20(31-2)16-21(19)26-22/h5-6,15-18,26H,3-4,7-14H2,1-2H3,(H,25,29)/t17-/m0/s1
InChIKeyJFUUSYXZHPYWNS-KRWDZBQOSA-N
XLogP2.88
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-piperidin-1-ylpropyl)propanamide
CID 92503749
(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-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92765247
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 92503706
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503701
2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 20971114
(2R)-N-cyclohexyl-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503737
(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
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92503728
(2R)-N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503745
(2R)-N-[3-(azepan-1-yl)propyl]-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 94089259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 92503758) is (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCN4CCCC4)CC3)[nH]c2c1.
What is the InChIKey of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is JFUUSYXZHPYWNS-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-17(23(29)25-9-14-27-10-3-4-11-27)18-7-12-28(13-8-18)24(30)22-15-19-5-6-20(31-2)16-21(19)26-22/h5-6,15-18,26H,3-4,7-14H2,1-2H3,(H,25,29)/t17-/m0/s1.
What are the key properties of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 426.56 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 92503758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).