2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide

C16H25N3O2 — CID 79538614

IUPAC2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide
SMILESCC(CC1CCCCN1)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C16H25N3O2/c1-12(10-14-4-2-3-9-18-14)19-13-5-7-15(8-6-13)21-11-16(17)20/h5-8,12,14,18-19H,2-4,9-11H2,1H3,(H2,17,20)
InChIKeyQBQRNCZCYHRNPI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.88
Rot. Bonds7

About 2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide

2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide (PubChem CID 79538614) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide
PubChem CID79538614
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide
SMILESCC(CC1CCCCN1)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C16H25N3O2/c1-12(10-14-4-2-3-9-18-14)19-13-5-7-15(8-6-13)21-11-16(17)20/h5-8,12,14,18-19H,2-4,9-11H2,1H3,(H2,17,20)
InChIKeyQBQRNCZCYHRNPI-UHFFFAOYSA-N
XLogP1.88
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
CID 79537495
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
N-[4-(2-amino-2-oxoethoxy)phenyl]azepane-2-carboxamide
CID 64564189
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
CID 79540902
N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline
CID 79537841
2-[4-(1-cyclopropylpropylamino)phenoxy]acetamide
CID 64918188
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide?
The IUPAC name of 2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide (CID 79538614) is 2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide?
The canonical SMILES for 2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide is CC(CC1CCCCN1)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide?
The InChIKey is QBQRNCZCYHRNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(10-14-4-2-3-9-18-14)19-13-5-7-15(8-6-13)21-11-16(17)20/h5-8,12,14,18-19H,2-4,9-11H2,1H3,(H2,17,20).
What are the key properties of 2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide?
2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide has a molecular weight of 291.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide is sourced from PubChem (CID 79538614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).