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

C26H39N5O3 — CID 92765247

IUPAC(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCCN4CCN(C)CC4)CC3)[nH]c2c1
InChIInChI=1S/C26H39N5O3/c1-19(25(32)27-9-4-10-30-15-13-29(2)14-16-30)20-7-11-31(12-8-20)26(33)24-17-21-5-6-22(34-3)18-23(21)28-24/h5-6,17-20,28H,4,7-16H2,1-3H3,(H,27,32)/t19-/m0/s1
InChIKeyOGBHJQGESYWXBM-IBGZPJMESA-N
MW469.63 g/mol
LogP2.42
Rot. Bonds8

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

(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 92765247) has the molecular formula C26H39N5O3 and a molecular weight of 469.63 g/mol. Its IUPAC name is (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID92765247
Molecular FormulaC26H39N5O3
Molecular Weight469.63 g/mol
Exact Mass469.31
IUPAC Name(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCCN4CCN(C)CC4)CC3)[nH]c2c1
InChIInChI=1S/C26H39N5O3/c1-19(25(32)27-9-4-10-30-15-13-29(2)14-16-30)20-7-11-31(12-8-20)26(33)24-17-21-5-6-22(34-3)18-23(21)28-24/h5-6,17-20,28H,4,7-16H2,1-3H3,(H,27,32)/t19-/m0/s1
InChIKeyOGBHJQGESYWXBM-IBGZPJMESA-N
XLogP2.42
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(3-morpholin-4-ylpropyl)propanamide
CID 92503701
(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-propylpropanamide
CID 92503700
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 92503706
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)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503660
(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)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 92879920
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92503728

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide (CID 92765247) is (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide is COc1ccc2cc(C(=O)N3CCC([C@H](C)C(=O)NCCCN4CCN(C)CC4)CC3)[nH]c2c1.
What is the InChIKey of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is OGBHJQGESYWXBM-IBGZPJMESA-N. The full InChI is InChI=1S/C26H39N5O3/c1-19(25(32)27-9-4-10-30-15-13-29(2)14-16-30)20-7-11-31(12-8-20)26(33)24-17-21-5-6-22(34-3)18-23(21)28-24/h5-6,17-20,28H,4,7-16H2,1-3H3,(H,27,32)/t19-/m0/s1.
What are the key properties of (2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide?
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 469.63 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 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-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 92765247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).