N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

C20H23N5O2 — CID 126779705

IUPACN-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cn1
InChIInChI=1S/C20H23N5O2/c1-24-13-17(12-23-24)19(26)22-11-14-5-8-25(9-6-14)20(27)16-2-3-18-15(10-16)4-7-21-18/h2-4,7,10,12-14,21H,5-6,8-9,11H2,1H3,(H,22,26)
InChIKeyMFGQCBREAKOKDO-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.18
Rot. Bonds4

About N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 126779705) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID126779705
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cn1
InChIInChI=1S/C20H23N5O2/c1-24-13-17(12-23-24)19(26)22-11-14-5-8-25(9-6-14)20(27)16-2-3-18-15(10-16)4-7-21-18/h2-4,7,10,12-14,21H,5-6,8-9,11H2,1H3,(H,22,26)
InChIKeyMFGQCBREAKOKDO-UHFFFAOYSA-N
XLogP2.18
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-5-yl)methanone
CID 63723758
N-[[1-(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 139000175
N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide
CID 110471413
N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42514413
N-[[1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45226176
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
tert-butyl 4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 60618226
benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933443
N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 95207398
N-[[1-(2-aminopentanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119312997
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 115775238
N-[4-[1-(1H-indole-5-carbonyl)piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 70984090

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 126779705) is N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cn1.
What is the InChIKey of N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MFGQCBREAKOKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24-13-17(12-23-24)19(26)22-11-14-5-8-25(9-6-14)20(27)16-2-3-18-15(10-16)4-7-21-18/h2-4,7,10,12-14,21H,5-6,8-9,11H2,1H3,(H,22,26).
What are the key properties of N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 126779705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).