1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide

C26H29N5O — CID 24790452

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
SMILESCCn1cc(CN2CCCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1
InChIInChI=1S/C26H29N5O/c1-2-31-17-19(15-27-31)16-30-12-6-9-22(18-30)26(32)28-23-10-5-8-20(13-23)25-14-21-7-3-4-11-24(21)29-25/h3-5,7-8,10-11,13-15,17,22,29H,2,6,9,12,16,18H2,1H3,(H,28,32)
InChIKeyBCYNSARSDGREIL-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.90
Rot. Bonds6

About 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide

1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide (PubChem CID 24790452) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
PubChem CID24790452
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
SMILESCCn1cc(CN2CCCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1
InChIInChI=1S/C26H29N5O/c1-2-31-17-19(15-27-31)16-30-12-6-9-22(18-30)26(32)28-23-10-5-8-20(13-23)25-14-21-7-3-4-11-24(21)29-25/h3-5,7-8,10-11,13-15,17,22,29H,2,6,9,12,16,18H2,1H3,(H,28,32)
InChIKeyBCYNSARSDGREIL-UHFFFAOYSA-N
XLogP4.90
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-indol-3-yl)-N-(3-{methyl[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino}propyl)propanamide
CID 11156231
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531982
N-[3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-4-methylcyclohexane-1-carboxamide
CID 16478638
1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-(1H-indol-3-yl)-propionamide
CID 11625278
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
(2'S,3R)-2'-[3-[(E)-2-[6-(piperidin-1-ylmethyl)-3-pyridinyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486217
3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-6-(1H-1,2,3-triazol-1-yl)quinolin-2(1H)-one
CID 135908179
N-{1-[(5-Methyl-1h-Indol-3-Yl)methyl]piperidin-4-Yl}-L-Tryptophanamide
CID 73167574
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]propanehydrazide
CID 135606750

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide (CID 24790452) is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide is CCn1cc(CN2CCCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is BCYNSARSDGREIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-2-31-17-19(15-27-31)16-30-12-6-9-22(18-30)26(32)28-23-10-5-8-20(13-23)25-14-21-7-3-4-11-24(21)29-25/h3-5,7-8,10-11,13-15,17,22,29H,2,6,9,12,16,18H2,1H3,(H,28,32).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide?
1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 24790452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).