N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide

C23H25FN4O3 — CID 99741021

IUPACN-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1OC
InChIInChI=1S/C23H25FN4O3/c1-30-20-10-7-16(12-21(20)31-2)23(29)25-18-4-3-11-28(14-18)22-13-19(26-27-22)15-5-8-17(24)9-6-15/h5-10,12-13,18H,3-4,11,14H2,1-2H3,(H,25,29)(H,26,27)/t18-/m1/s1
InChIKeySHJNANLJRROOEV-GOSISDBHSA-N
MW424.48 g/mol
LogP3.63
Rot. Bonds6

About N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide

N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide (PubChem CID 99741021) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide
PubChem CID99741021
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1OC
InChIInChI=1S/C23H25FN4O3/c1-30-20-10-7-16(12-21(20)31-2)23(29)25-18-4-3-11-28(14-18)22-13-19(26-27-22)15-5-8-17(24)9-6-15/h5-10,12-13,18H,3-4,11,14H2,1-2H3,(H,25,29)(H,26,27)/t18-/m1/s1
InChIKeySHJNANLJRROOEV-GOSISDBHSA-N
XLogP3.63
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 91904890
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-methoxybenzamide
CID 99741627
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 91888020
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 99740991
4-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887879
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide
CID 91904827
N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 99741002
3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91904828
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
CID 99741436
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
3,4-difluoro-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741777

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide (CID 99741021) is N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@@H]2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)cc1OC.
What is the InChIKey of N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide?
The InChIKey is SHJNANLJRROOEV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-30-20-10-7-16(12-21(20)31-2)23(29)25-18-4-3-11-28(14-18)22-13-19(26-27-22)15-5-8-17(24)9-6-15/h5-10,12-13,18H,3-4,11,14H2,1-2H3,(H,25,29)(H,26,27)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide?
N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide has a molecular weight of 424.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 99741021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).