N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C22H32N4O2 — CID 24791104

IUPACN-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCOCC(C)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C22H32N4O2/c1-18(17-28-2)25-15-12-20(13-16-25)26-21(11-14-23-26)24-22(27)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11,14,18,20H,6,9-10,12-13,15-17H2,1-2H3,(H,24,27)
InChIKeyMTMBAGVWXZVJBR-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.52
Rot. Bonds9

About N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24791104) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24791104
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCOCC(C)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C22H32N4O2/c1-18(17-28-2)25-15-12-20(13-16-25)26-21(11-14-23-26)24-22(27)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11,14,18,20H,6,9-10,12-13,15-17H2,1-2H3,(H,24,27)
InChIKeyMTMBAGVWXZVJBR-UHFFFAOYSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 24791104) is N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is COCC(C)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is MTMBAGVWXZVJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-18(17-28-2)25-15-12-20(13-16-25)26-21(11-14-23-26)24-22(27)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11,14,18,20H,6,9-10,12-13,15-17H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 384.52 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24791104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).