N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide

C25H27ClN4O2 — CID 59548769

IUPACN-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide
SMILESCc1cc(C)n(CC(=O)N2CCC(c3ccc(Cl)cc3NC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C25H27ClN4O2/c1-17-14-18(2)30(28-17)16-24(31)29-12-10-19(11-13-29)22-9-8-21(26)15-23(22)27-25(32)20-6-4-3-5-7-20/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,27,32)
InChIKeyTWWNLZQLZZIRSV-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.81
Rot. Bonds5

About N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide

N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide (PubChem CID 59548769) has the molecular formula C25H27ClN4O2 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide
PubChem CID59548769
Molecular FormulaC25H27ClN4O2
Molecular Weight450.97 g/mol
Exact Mass450.18
IUPAC NameN-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide
SMILESCc1cc(C)n(CC(=O)N2CCC(c3ccc(Cl)cc3NC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C25H27ClN4O2/c1-17-14-18(2)30(28-17)16-24(31)29-12-10-19(11-13-29)22-9-8-21(26)15-23(22)27-25(32)20-6-4-3-5-7-20/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,27,32)
InChIKeyTWWNLZQLZZIRSV-UHFFFAOYSA-N
XLogP4.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide?
The IUPAC name of N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide (CID 59548769) is N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide.
What is the SMILES notation for N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide?
The canonical SMILES for N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide is Cc1cc(C)n(CC(=O)N2CCC(c3ccc(Cl)cc3NC(=O)c3ccccc3)CC2)n1.
What is the InChIKey of N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide?
The InChIKey is TWWNLZQLZZIRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O2/c1-17-14-18(2)30(28-17)16-24(31)29-12-10-19(11-13-29)22-9-8-21(26)15-23(22)27-25(32)20-6-4-3-5-7-20/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,27,32).
What are the key properties of N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide?
N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide has a molecular weight of 450.97 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide is sourced from PubChem (CID 59548769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).