N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C25H30N4O2 — CID 24790155

IUPACN-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCOc1ccccc1CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C25H30N4O2/c1-31-23-10-6-5-9-21(23)19-28-17-14-22(15-18-28)29-24(13-16-26-29)27-25(30)12-11-20-7-3-2-4-8-20/h2-10,13,16,22H,11-12,14-15,17-19H2,1H3,(H,27,30)
InChIKeyNPWQWBLKMVECMA-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.30
Rot. Bonds8

About N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 24790155) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID24790155
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESCOc1ccccc1CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C25H30N4O2/c1-31-23-10-6-5-9-21(23)19-28-17-14-22(15-18-28)29-24(13-16-26-29)27-25(30)12-11-20-7-3-2-4-8-20/h2-10,13,16,22H,11-12,14-15,17-19H2,1H3,(H,27,30)
InChIKeyNPWQWBLKMVECMA-UHFFFAOYSA-N
XLogP4.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 24790155) is N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is COc1ccccc1CN1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is NPWQWBLKMVECMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-31-23-10-6-5-9-21(23)19-28-17-14-22(15-18-28)29-24(13-16-26-29)27-25(30)12-11-20-7-3-2-4-8-20/h2-10,13,16,22H,11-12,14-15,17-19H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 418.54 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 24790155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).