N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide

C26H30ClN5O2 — CID 55738128

IUPACN-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CN1CCC(NC(=O)CCc2ccccc2)CC1)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C26H30ClN5O2/c27-23-9-5-4-8-21(23)18-32-24(12-15-28-32)30-26(34)19-31-16-13-22(14-17-31)29-25(33)11-10-20-6-2-1-3-7-20/h1-9,12,15,22H,10-11,13-14,16-19H2,(H,29,33)(H,30,34)
InChIKeyGHQOIYJPWSRDRQ-UHFFFAOYSA-N
MW480.01 g/mol
LogP3.74
Rot. Bonds9

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

N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55738128) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55738128
Molecular FormulaC26H30ClN5O2
Molecular Weight480.01 g/mol
Exact Mass479.21
IUPAC NameN-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
SMILESO=C(CN1CCC(NC(=O)CCc2ccccc2)CC1)Nc1ccnn1Cc1ccccc1Cl
InChIInChI=1S/C26H30ClN5O2/c27-23-9-5-4-8-21(23)18-32-24(12-15-28-32)30-26(34)19-31-16-13-22(14-17-31)29-25(33)11-10-20-6-2-1-3-7-20/h1-9,12,15,22H,10-11,13-14,16-19H2,(H,29,33)(H,30,34)
InChIKeyGHQOIYJPWSRDRQ-UHFFFAOYSA-N
XLogP3.74
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.01
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide (CID 55738128) is N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide is O=C(CN1CCC(NC(=O)CCc2ccccc2)CC1)Nc1ccnn1Cc1ccccc1Cl.
What is the InChIKey of N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is GHQOIYJPWSRDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c27-23-9-5-4-8-21(23)18-32-24(12-15-28-32)30-26(34)19-31-16-13-22(14-17-31)29-25(33)11-10-20-6-2-1-3-7-20/h1-9,12,15,22H,10-11,13-14,16-19H2,(H,29,33)(H,30,34).
What are the key properties of N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 480.01 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55738128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).