1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

C22H26N4O3 — CID 45229387

IUPAC1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESCOCc1ccc(CN2CCCC(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)o1
InChIInChI=1S/C22H26N4O3/c1-28-15-20-9-8-19(29-20)14-26-12-2-3-17(13-26)22(27)24-18-6-4-16(5-7-18)21-10-11-23-25-21/h4-11,17H,2-3,12-15H2,1H3,(H,23,25)(H,24,27)
InChIKeyNXBYBMSHUAEHHB-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.67
Rot. Bonds7

About 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (PubChem CID 45229387) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
PubChem CID45229387
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESCOCc1ccc(CN2CCCC(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)o1
InChIInChI=1S/C22H26N4O3/c1-28-15-20-9-8-19(29-20)14-26-12-2-3-17(13-26)22(27)24-18-6-4-16(5-7-18)21-10-11-23-25-21/h4-11,17H,2-3,12-15H2,1H3,(H,23,25)(H,24,27)
InChIKeyNXBYBMSHUAEHHB-UHFFFAOYSA-N
XLogP3.67
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 70769405
(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 42519609
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45195369
1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 72847310
1-(furan-2-ylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
CID 24790060
N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 43713244
(3R)-N-(4-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733328
N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 45186640
methyl 2-[(3S)-1-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]pyrrolidin-3-yl]acetate
CID 97276550
3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119399799
N-(4-fluorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930801
N-(4-bromophenyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43919529

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (CID 45229387) is 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is COCc1ccc(CN2CCCC(C(=O)Nc3ccc(-c4ccn[nH]4)cc3)C2)o1.
What is the InChIKey of 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is NXBYBMSHUAEHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-28-15-20-9-8-19(29-20)14-26-12-2-3-17(13-26)22(27)24-18-6-4-16(5-7-18)21-10-11-23-25-21/h4-11,17H,2-3,12-15H2,1H3,(H,23,25)(H,24,27).
What are the key properties of 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 45229387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).