N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

C24H28N4O4 — CID 71839658

IUPACN-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(OC)c(OC)c4)CC3)[nH]n2)c1
InChIInChI=1S/C24H28N4O4/c1-30-19-6-4-5-17(13-19)21-15-20(26-27-21)16-9-11-28(12-10-16)24(29)25-18-7-8-22(31-2)23(14-18)32-3/h4-8,13-16H,9-12H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyBAKHCOBLSDKBTN-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.51
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide

N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (PubChem CID 71839658) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
PubChem CID71839658
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(OC)c(OC)c4)CC3)[nH]n2)c1
InChIInChI=1S/C24H28N4O4/c1-30-19-6-4-5-17(13-19)21-15-20(26-27-21)16-9-11-28(12-10-16)24(29)25-18-7-8-22(31-2)23(14-18)32-3/h4-8,13-16H,9-12H2,1-3H3,(H,25,29)(H,26,27)
InChIKeyBAKHCOBLSDKBTN-UHFFFAOYSA-N
XLogP4.51
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide (CID 71839658) is N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is COc1cccc(-c2cc(C3CCN(C(=O)Nc4ccc(OC)c(OC)c4)CC3)[nH]n2)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
The InChIKey is BAKHCOBLSDKBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-30-19-6-4-5-17(13-19)21-15-20(26-27-21)16-9-11-28(12-10-16)24(29)25-18-7-8-22(31-2)23(14-18)32-3/h4-8,13-16H,9-12H2,1-3H3,(H,25,29)(H,26,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71839658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).