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

C20H25N5O — CID 154757998

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCCCC2c2cc3ccccc3[nH]2)cn1
InChIInChI=1S/C20H25N5O/c1-2-24-14-15(13-22-24)12-21-20(26)25-10-6-5-9-19(25)18-11-16-7-3-4-8-17(16)23-18/h3-4,7-8,11,13-14,19,23H,2,5-6,9-10,12H2,1H3,(H,21,26)
InChIKeyMUVHIWVVFFBOKX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.82
Rot. Bonds4

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

N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide (PubChem CID 154757998) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide
PubChem CID154757998
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide
SMILESCCn1cc(CNC(=O)N2CCCCC2c2cc3ccccc3[nH]2)cn1
InChIInChI=1S/C20H25N5O/c1-2-24-14-15(13-22-24)12-21-20(26)25-10-6-5-9-19(25)18-11-16-7-3-4-8-17(16)23-18/h3-4,7-8,11,13-14,19,23H,2,5-6,9-10,12H2,1H3,(H,21,26)
InChIKeyMUVHIWVVFFBOKX-UHFFFAOYSA-N
XLogP3.82
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 98900942
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
(2R)-N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 125143048
(5-bromo-3-pyridinyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 71878068
N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60605560
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088993
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[2-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 127477504

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide (CID 154757998) is N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide is CCn1cc(CNC(=O)N2CCCCC2c2cc3ccccc3[nH]2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide?
The InChIKey is MUVHIWVVFFBOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-24-14-15(13-22-24)12-21-20(26)25-10-6-5-9-19(25)18-11-16-7-3-4-8-17(16)23-18/h3-4,7-8,11,13-14,19,23H,2,5-6,9-10,12H2,1H3,(H,21,26).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154757998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).