(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

C24H28N4O3 — CID 92895153

IUPAC(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCc4cccnc4)CC3)[nH]c2c1
InChIInChI=1S/C24H28N4O3/c1-16(23(29)26-15-17-4-3-9-25-14-17)18-7-10-28(11-8-18)24(30)22-12-19-5-6-20(31-2)13-21(19)27-22/h3-6,9,12-14,16,18,27H,7-8,10-11,15H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyQXBJIYJDAVMFPA-MRXNPFEDSA-N
MW420.51 g/mol
LogP3.38
Rot. Bonds6

About (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 92895153) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID92895153
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCc4cccnc4)CC3)[nH]c2c1
InChIInChI=1S/C24H28N4O3/c1-16(23(29)26-15-17-4-3-9-25-14-17)18-7-10-28(11-8-18)24(30)22-12-19-5-6-20(31-2)13-21(19)27-22/h3-6,9,12-14,16,18,27H,7-8,10-11,15H2,1-2H3,(H,26,29)/t16-/m1/s1
InChIKeyQXBJIYJDAVMFPA-MRXNPFEDSA-N
XLogP3.38
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide with MolForge

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Related Compounds

2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 50816866
(2R)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895156
(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
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92503728
(2S)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92503758
(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-piperidin-1-ylpropyl)propanamide
CID 92503749
(2R)-N-cyclohexyl-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503737
(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)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503701
N-[(4-ethoxyphenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816968

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 92895153) is (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is COc1ccc2cc(C(=O)N3CCC([C@@H](C)C(=O)NCc4cccnc4)CC3)[nH]c2c1.
What is the InChIKey of (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is QXBJIYJDAVMFPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16(23(29)26-15-17-4-3-9-25-14-17)18-7-10-28(11-8-18)24(30)22-12-19-5-6-20(31-2)13-21(19)27-22/h3-6,9,12-14,16,18,27H,7-8,10-11,15H2,1-2H3,(H,26,29)/t16-/m1/s1.
What are the key properties of (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 420.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 92895153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).