N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide

C25H30N4O2 — CID 86883811

IUPACN-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C(=O)NC1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-18(2)16-23(30)28-24(20-6-4-3-5-7-20)25(31)27-21-12-14-29(15-13-21)22-10-8-19(17-26)9-11-22/h3-11,18,21,24H,12-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWDHJDKJQOYGELY-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.55
Rot. Bonds7

About N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide

N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide (PubChem CID 86883811) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide
PubChem CID86883811
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C(=O)NC1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H30N4O2/c1-18(2)16-23(30)28-24(20-6-4-3-5-7-20)25(31)27-21-12-14-29(15-13-21)22-10-8-19(17-26)9-11-22/h3-11,18,21,24H,12-16H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyWDHJDKJQOYGELY-UHFFFAOYSA-N
XLogP3.55
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide (CID 86883811) is N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide is CC(C)CC(=O)NC(C(=O)NC1CCN(c2ccc(C#N)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide?
The InChIKey is WDHJDKJQOYGELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18(2)16-23(30)28-24(20-6-4-3-5-7-20)25(31)27-21-12-14-29(15-13-21)22-10-8-19(17-26)9-11-22/h3-11,18,21,24H,12-16H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide?
N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide has a molecular weight of 418.54 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-cyanophenyl)piperidin-4-yl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide is sourced from PubChem (CID 86883811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).