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

C22H29N5O3 — CID 24790152

IUPACN-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCC(=O)NCC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C22H29N5O3/c1-17(28)23-16-22(30)26-14-11-19(12-15-26)27-20(10-13-24-27)25-21(29)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10,13,19H,5,8-9,11-12,14-16H2,1H3,(H,23,28)(H,25,29)
InChIKeyYXWYTBWJFNBPAY-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.14
Rot. Bonds8

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

N-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24790152) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24790152
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCC(=O)NCC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C22H29N5O3/c1-17(28)23-16-22(30)26-14-11-19(12-15-26)27-20(10-13-24-27)25-21(29)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10,13,19H,5,8-9,11-12,14-16H2,1H3,(H,23,28)(H,25,29)
InChIKeyYXWYTBWJFNBPAY-UHFFFAOYSA-N
XLogP2.14
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 24790152) is N-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is CC(=O)NCC(=O)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is YXWYTBWJFNBPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-17(28)23-16-22(30)26-14-11-19(12-15-26)27-20(10-13-24-27)25-21(29)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10,13,19H,5,8-9,11-12,14-16H2,1H3,(H,23,28)(H,25,29).
What are the key properties of N-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 411.51 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-acetamidoacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24790152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).