N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C26H26N4O — CID 45193611

IUPACN-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C26H26N4O/c31-26(22-9-5-13-30(18-22)17-19-6-4-12-27-16-19)28-23-10-3-8-20(14-23)25-15-21-7-1-2-11-24(21)29-25/h1-4,6-8,10-12,14-16,22,29H,5,9,13,17-18H2,(H,28,31)
InChIKeyYLADXVYXGHQUOJ-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.08
Rot. Bonds5

About N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 45193611) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID45193611
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C26H26N4O/c31-26(22-9-5-13-30(18-22)17-19-6-4-12-27-16-19)28-23-10-3-8-20(14-23)25-15-21-7-1-2-11-24(21)29-25/h1-4,6-8,10-12,14-16,22,29H,5,9,13,17-18H2,(H,28,31)
InChIKeyYLADXVYXGHQUOJ-UHFFFAOYSA-N
XLogP5.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 25302072
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817005
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 42592946
N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 45191889
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 45197737
(3R)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide
CID 26318167
1-(furan-2-carbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 45211848
N-[3-(1H-indol-2-yl)phenyl]-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
CID 45243703
(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 25492836
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95345095
N-[3-(1H-indol-2-yl)phenyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 45220000

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 45193611) is N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)C1CCCN(Cc2cccnc2)C1.
What is the InChIKey of N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is YLADXVYXGHQUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c31-26(22-9-5-13-30(18-22)17-19-6-4-12-27-16-19)28-23-10-3-8-20(14-23)25-15-21-7-1-2-11-24(21)29-25/h1-4,6-8,10-12,14-16,22,29H,5,9,13,17-18H2,(H,28,31).
What are the key properties of N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-2-yl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45193611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).