N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

C24H28N4O2 — CID 139434941

IUPACN-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OCCN3CCCCC3)cc2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C24H28N4O2/c1-18-5-10-22(21(17-18)23-11-12-25-27-23)26-24(29)19-6-8-20(9-7-19)30-16-15-28-13-3-2-4-14-28/h5-12,17H,2-4,13-16H2,1H3,(H,25,27)(H,26,29)
InChIKeyGKMKRTSWAKRLIR-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.50
Rot. Bonds7

About N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide

N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (PubChem CID 139434941) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
PubChem CID139434941
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
SMILESCc1ccc(NC(=O)c2ccc(OCCN3CCCCC3)cc2)c(-c2ccn[nH]2)c1
InChIInChI=1S/C24H28N4O2/c1-18-5-10-22(21(17-18)23-11-12-25-27-23)26-24(29)19-6-8-20(9-7-19)30-16-15-28-13-3-2-4-14-28/h5-12,17H,2-4,13-16H2,1H3,(H,25,27)(H,26,29)
InChIKeyGKMKRTSWAKRLIR-UHFFFAOYSA-N
XLogP4.50
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-2-iodophenyl)-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090288
N-[2-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434898
N-[2-(4,5-dichloro-1H-pyrazol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434958
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(1H-pyrazol-5-yl)phenyl]urea
CID 139434962
4-(2-piperidin-1-ylethoxy)-N-[4-(2H-triazol-4-yl)phenyl]benzamide
CID 166090293
4-methyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 15137005
N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090227
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
N-[2-(4,7-dioxo-1H-indol-3-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 139434976
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-butoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393698
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 139434928

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide (CID 139434941) is N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is Cc1ccc(NC(=O)c2ccc(OCCN3CCCCC3)cc2)c(-c2ccn[nH]2)c1.
What is the InChIKey of N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
The InChIKey is GKMKRTSWAKRLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18-5-10-22(21(17-18)23-11-12-25-27-23)26-24(29)19-6-8-20(9-7-19)30-16-15-28-13-3-2-4-14-28/h5-12,17H,2-4,13-16H2,1H3,(H,25,27)(H,26,29).
What are the key properties of N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide?
N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide has a molecular weight of 404.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(1H-pyrazol-5-yl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 139434941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).