5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C18H24N4O3 — CID 96514013

IUPAC5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1OCCN1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C18H24N4O3/c1-24-16-6-2-3-7-17(16)25-10-9-22-8-4-5-13(12-22)14-11-15(18(19)23)21-20-14/h2-3,6-7,11,13H,4-5,8-10,12H2,1H3,(H2,19,23)(H,20,21)/t13-/m1/s1
InChIKeyNBKALRGJXAINHC-CYBMUJFWSA-N
MW344.42 g/mol
LogP1.78
Rot. Bonds7

About 5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 96514013) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID96514013
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1OCCN1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C18H24N4O3/c1-24-16-6-2-3-7-17(16)25-10-9-22-8-4-5-13(12-22)14-11-15(18(19)23)21-20-14/h2-3,6-7,11,13H,4-5,8-10,12H2,1H3,(H2,19,23)(H,20,21)/t13-/m1/s1
InChIKeyNBKALRGJXAINHC-CYBMUJFWSA-N
XLogP1.78
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514087
5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927105
5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927132
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-amine;hydrochloride
CID 119910302
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217770
5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927112
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373887
5-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927110
5-[(3R)-1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217776

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 96514013) is 5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is COc1ccccc1OCCN1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1.
What is the InChIKey of 5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is NBKALRGJXAINHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-24-16-6-2-3-7-17(16)25-10-9-22-8-4-5-13(12-22)14-11-15(18(19)23)21-20-14/h2-3,6-7,11,13H,4-5,8-10,12H2,1H3,(H2,19,23)(H,20,21)/t13-/m1/s1.
What are the key properties of 5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96514013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).