N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide

C18H27N3O2 — CID 155391873

IUPACN-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(N2CCCOCC2)cc1
InChIInChI=1S/C18H27N3O2/c22-18(15-20-9-2-1-3-10-20)19-16-5-7-17(8-6-16)21-11-4-13-23-14-12-21/h5-8H,1-4,9-15H2,(H,19,22)
InChIKeyYAAWHDDFWFGNFA-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.34
Rot. Bonds4

About N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide

N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide (PubChem CID 155391873) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
PubChem CID155391873
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(N2CCCOCC2)cc1
InChIInChI=1S/C18H27N3O2/c22-18(15-20-9-2-1-3-10-20)19-16-5-7-17(8-6-16)21-11-4-13-23-14-12-21/h5-8H,1-4,9-15H2,(H,19,22)
InChIKeyYAAWHDDFWFGNFA-UHFFFAOYSA-N
XLogP2.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.34
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

1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2400583
2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108995838
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
2-(2-morpholin-4-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816686
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 51172052
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide (CID 155391873) is N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc(N2CCCOCC2)cc1.
What is the InChIKey of N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is YAAWHDDFWFGNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(15-20-9-2-1-3-10-20)19-16-5-7-17(8-6-16)21-11-4-13-23-14-12-21/h5-8H,1-4,9-15H2,(H,19,22).
What are the key properties of N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide?
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 317.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 155391873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).