N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide

C20H29N3O2 — CID 110627164

IUPACN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c24-20(15-19-3-1-2-14-25-19)21-16-4-6-17(7-5-16)22-10-12-23(13-11-22)18-8-9-18/h4-7,18-19H,1-3,8-15H2,(H,21,24)
InChIKeyKHPULRIOSHJPOJ-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.87
Rot. Bonds5

About N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide

N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide (PubChem CID 110627164) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
PubChem CID110627164
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C20H29N3O2/c24-20(15-19-3-1-2-14-25-19)21-16-4-6-17(7-5-16)22-10-12-23(13-11-22)18-8-9-18/h4-7,18-19H,1-3,8-15H2,(H,21,24)
InChIKeyKHPULRIOSHJPOJ-UHFFFAOYSA-N
XLogP2.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110605644
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621086
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696651
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 112502775
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
CID 106910580
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110288057

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide (CID 110627164) is N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide is O=C(CC1CCCCO1)Nc1ccc(N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide?
The InChIKey is KHPULRIOSHJPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-20(15-19-3-1-2-14-25-19)21-16-4-6-17(7-5-16)22-10-12-23(13-11-22)18-8-9-18/h4-7,18-19H,1-3,8-15H2,(H,21,24).
What are the key properties of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide?
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide has a molecular weight of 343.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110627164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).