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

C23H26N4O2 — CID 50816866

IUPAC2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H26N4O2/c1-16(22(28)25-15-17-5-4-10-24-14-17)18-8-11-27(12-9-18)23(29)21-13-19-6-2-3-7-20(19)26-21/h2-7,10,13-14,16,18,26H,8-9,11-12,15H2,1H3,(H,25,28)
InChIKeyXDGWLNFNQOSRLG-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.37
Rot. Bonds5

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

2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 50816866) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID50816866
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H26N4O2/c1-16(22(28)25-15-17-5-4-10-24-14-17)18-8-11-27(12-9-18)23(29)21-13-19-6-2-3-7-20(19)26-21/h2-7,10,13-14,16,18,26H,8-9,11-12,15H2,1H3,(H,25,28)
InChIKeyXDGWLNFNQOSRLG-UHFFFAOYSA-N
XLogP3.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(pyridin-3-ylmethyl)propanamide
CID 92895153
(2S)-N-[(3-bromophenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076972
N-[(4-ethoxyphenyl)methyl]-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816968
N-butyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 50816867
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92879859
N-benzyl-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 46376376
(2R)-N-(3-ethoxypropyl)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 93076941
(2S)-N-cyclohexyl-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]propanamide
CID 92503661
(2R)-2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 92503660
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 50816860

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 50816866) is 2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is CC(C(=O)NCc1cccnc1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is XDGWLNFNQOSRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16(22(28)25-15-17-5-4-10-24-14-17)18-8-11-27(12-9-18)23(29)21-13-19-6-2-3-7-20(19)26-21/h2-7,10,13-14,16,18,26H,8-9,11-12,15H2,1H3,(H,25,28).
What are the key properties of 2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 390.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 50816866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).