N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide

C20H23N5O3 — CID 167931100

IUPACN-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC[C@H]1CCCN(C(=O)c2cc3cc(O)ccc3[nH]2)C1)c1cn[nH]c1
InChIInChI=1S/C20H23N5O3/c26-16-3-4-17-14(8-16)9-18(24-17)20(28)25-7-1-2-13(12-25)5-6-21-19(27)15-10-22-23-11-15/h3-4,8-11,13,24,26H,1-2,5-7,12H2,(H,21,27)(H,22,23)/t13-/m1/s1
InChIKeyXQBYKHIDIQUZRI-CYBMUJFWSA-N
MW381.44 g/mol
LogP2.27
Rot. Bonds5

About N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide

N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 167931100) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide
PubChem CID167931100
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC[C@H]1CCCN(C(=O)c2cc3cc(O)ccc3[nH]2)C1)c1cn[nH]c1
InChIInChI=1S/C20H23N5O3/c26-16-3-4-17-14(8-16)9-18(24-17)20(28)25-7-1-2-13(12-25)5-6-21-19(27)15-10-22-23-11-15/h3-4,8-11,13,24,26H,1-2,5-7,12H2,(H,21,27)(H,22,23)/t13-/m1/s1
InChIKeyXQBYKHIDIQUZRI-CYBMUJFWSA-N
XLogP2.27
TPSA114.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[3-(1-benzoylpiperidin-3-yl)propyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 126510184
(5-amino-1H-indol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 62057298
[3-(bromomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660595
(6-hydroxy-1H-indol-2-yl)-[3-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-yl]methanone
CID 139988539
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
CID 97276292
5-hydroxy-N-[3-[(2H-triazole-4-carbonylamino)methyl]cyclobutyl]-1H-indole-2-carboxamide
CID 166322482
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
[3-(2-bromoethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 114801677
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
CID 6734414
N-[[1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]methyl]-1H-indole-6-carboxamide
CID 131937541
1H-indol-2-yl-(3-propylpyrrolidin-1-yl)methanone
CID 112695865

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide (CID 167931100) is N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide is O=C(NCC[C@H]1CCCN(C(=O)c2cc3cc(O)ccc3[nH]2)C1)c1cn[nH]c1.
What is the InChIKey of N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is XQBYKHIDIQUZRI-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-16-3-4-17-14(8-16)9-18(24-17)20(28)25-7-1-2-13(12-25)5-6-21-19(27)15-10-22-23-11-15/h3-4,8-11,13,24,26H,1-2,5-7,12H2,(H,21,27)(H,22,23)/t13-/m1/s1.
What are the key properties of N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide?
N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-(5-hydroxy-1H-indole-2-carbonyl)piperidin-3-yl]ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167931100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).