N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C26H32N4O2 — CID 24818983

IUPACN-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cnn(C(C)C)c4)C3)cc2)c1
InChIInChI=1S/C26H32N4O2/c1-19(2)30-17-20(15-27-30)16-29-13-5-7-23(18-29)26(31)28-24-11-9-21(10-12-24)22-6-4-8-25(14-22)32-3/h4,6,8-12,14-15,17,19,23H,5,7,13,16,18H2,1-3H3,(H,28,31)
InChIKeyVZHPQIXNLKUDII-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.99
Rot. Bonds7

About N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide

N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 24818983) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID24818983
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCOc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cnn(C(C)C)c4)C3)cc2)c1
InChIInChI=1S/C26H32N4O2/c1-19(2)30-17-20(15-27-30)16-29-13-5-7-23(18-29)26(31)28-24-11-9-21(10-12-24)22-6-4-8-25(14-22)32-3/h4,6,8-12,14-15,17,19,23H,5,7,13,16,18H2,1-3H3,(H,28,31)
InChIKeyVZHPQIXNLKUDII-UHFFFAOYSA-N
XLogP4.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 24818983) is N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide is COc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4cnn(C(C)C)c4)C3)cc2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is VZHPQIXNLKUDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19(2)30-17-20(15-27-30)16-29-13-5-7-23(18-29)26(31)28-24-11-9-21(10-12-24)22-6-4-8-25(14-22)32-3/h4,6,8-12,14-15,17,19,23H,5,7,13,16,18H2,1-3H3,(H,28,31).
What are the key properties of N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24818983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).