N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide

C18H27N3O2 — CID 71783281

IUPACN-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(O)C2CC2)CC1)NCc1ccccc1
InChIInChI=1S/C18H27N3O2/c22-17(16-6-7-16)13-20-8-10-21(11-9-20)14-18(23)19-12-15-4-2-1-3-5-15/h1-5,16-17,22H,6-14H2,(H,19,23)
InChIKeyJCELQGMZLRDHGR-UHFFFAOYSA-N
MW317.43 g/mol
LogP0.69
Rot. Bonds7

About N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide (PubChem CID 71783281) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide
PubChem CID71783281
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(O)C2CC2)CC1)NCc1ccccc1
InChIInChI=1S/C18H27N3O2/c22-17(16-6-7-16)13-20-8-10-21(11-9-20)14-18(23)19-12-15-4-2-1-3-5-15/h1-5,16-17,22H,6-14H2,(H,19,23)
InChIKeyJCELQGMZLRDHGR-UHFFFAOYSA-N
XLogP0.69
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide (CID 71783281) is N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide is O=C(CN1CCN(CC(O)C2CC2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide?
The InChIKey is JCELQGMZLRDHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-17(16-6-7-16)13-20-8-10-21(11-9-20)14-18(23)19-12-15-4-2-1-3-5-15/h1-5,16-17,22H,6-14H2,(H,19,23).
What are the key properties of N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 71783281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).