N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C19H26N4O4 — CID 136520094

IUPACN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESCCc1nn(C)c(OC)c1CNC(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C19H26N4O4/c1-4-14-13(19(26-3)22(2)21-14)12-20-17(24)15-8-5-6-10-23(15)18(25)16-9-7-11-27-16/h7,9,11,15H,4-6,8,10,12H2,1-3H3,(H,20,24)
InChIKeyNYVKNIPKQWMKRB-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.90
Rot. Bonds6

About N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 136520094) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID136520094
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESCCc1nn(C)c(OC)c1CNC(=O)C1CCCCN1C(=O)c1ccco1
InChIInChI=1S/C19H26N4O4/c1-4-14-13(19(26-3)22(2)21-14)12-20-17(24)15-8-5-6-10-23(15)18(25)16-9-7-11-27-16/h7,9,11,15H,4-6,8,10,12H2,1-3H3,(H,20,24)
InChIKeyNYVKNIPKQWMKRB-UHFFFAOYSA-N
XLogP1.90
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492
(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
CID 52524693
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
1-(furan-2-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 75195661
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 47047629
(2S)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 95587013
N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 46537587
1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 55975411

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 136520094) is N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is CCc1nn(C)c(OC)c1CNC(=O)C1CCCCN1C(=O)c1ccco1.
What is the InChIKey of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is NYVKNIPKQWMKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-14-13(19(26-3)22(2)21-14)12-20-17(24)15-8-5-6-10-23(15)18(25)16-9-7-11-27-16/h7,9,11,15H,4-6,8,10,12H2,1-3H3,(H,20,24).
What are the key properties of N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 136520094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).