1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide

C20H23N5O — CID 155249317

IUPAC1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cnccn1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C20H23N5O/c26-20(24-13-18-12-21-7-8-22-18)16-4-9-25(10-5-16)14-15-1-2-19-17(11-15)3-6-23-19/h1-3,6-8,11-12,16,23H,4-5,9-10,13-14H2,(H,24,26)
InChIKeyNIHPWFMTIAMKIJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.49
Rot. Bonds5

About 1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide

1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 155249317) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID155249317
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cnccn1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C20H23N5O/c26-20(24-13-18-12-21-7-8-22-18)16-4-9-25(10-5-16)14-15-1-2-19-17(11-15)3-6-23-19/h1-3,6-8,11-12,16,23H,4-5,9-10,13-14H2,(H,24,26)
InChIKeyNIHPWFMTIAMKIJ-UHFFFAOYSA-N
XLogP2.49
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1H-indol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118790451
1-methyl-N-(1H-pyrrolo[2,3-c]pyridin-5-ylmethyl)piperidine-4-carboxamide
CID 167064572
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
N-[(4S,5S)-5-hydroxy-1-(1H-indol-5-ylmethyl)azepan-4-yl]acetamide
CID 110126935
[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
CID 23725525
1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 51361852
N-(1H-indol-5-ylmethyl)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 72851780
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792432
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
(3R)-1-methyl-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 138539048
1-[(3,4-dichlorophenyl)methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 53284623

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide (CID 155249317) is 1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cnccn1)C1CCN(Cc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NIHPWFMTIAMKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(24-13-18-12-21-7-8-22-18)16-4-9-25(10-5-16)14-15-1-2-19-17(11-15)3-6-23-19/h1-3,6-8,11-12,16,23H,4-5,9-10,13-14H2,(H,24,26).
What are the key properties of 1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide?
1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155249317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).