4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide

C19H30N2O2 — CID 119556464

IUPAC4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide
SMILESO=C(CCCOCCc1ccccc1)NCCC1CCCNC1
InChIInChI=1S/C19H30N2O2/c22-19(21-13-10-18-8-4-12-20-16-18)9-5-14-23-15-11-17-6-2-1-3-7-17/h1-3,6-7,18,20H,4-5,8-16H2,(H,21,22)
InChIKeyRYMIRSPQIHYBIH-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.53
Rot. Bonds10

About 4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide

4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide (PubChem CID 119556464) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide
PubChem CID119556464
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide
SMILESO=C(CCCOCCc1ccccc1)NCCC1CCCNC1
InChIInChI=1S/C19H30N2O2/c22-19(21-13-10-18-8-4-12-20-16-18)9-5-14-23-15-11-17-6-2-1-3-7-17/h1-3,6-7,18,20H,4-5,8-16H2,(H,21,22)
InChIKeyRYMIRSPQIHYBIH-UHFFFAOYSA-N
XLogP2.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
4-methoxy-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555814
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
2-(4-benzylpiperazin-1-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119555709
3-(2-methoxyethoxy)-N-(2-piperidin-3-ylethyl)propanamide
CID 119558832
3-phenylmethoxy-N-(piperidin-3-ylmethyl)propanamide
CID 119461064
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
2-(2-phenylethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119557940
N-[3-(2-phenylethoxy)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119739682
2-butoxy-N-(2-piperidin-3-ylethyl)acetamide
CID 119556293
3-(5-phenyl-1,3-oxazol-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;dihydrochloride
CID 119556270

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide?
The IUPAC name of 4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide (CID 119556464) is 4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide.
What is the SMILES notation for 4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide?
The canonical SMILES for 4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide is O=C(CCCOCCc1ccccc1)NCCC1CCCNC1.
What is the InChIKey of 4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide?
The InChIKey is RYMIRSPQIHYBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-19(21-13-10-18-8-4-12-20-16-18)9-5-14-23-15-11-17-6-2-1-3-7-17/h1-3,6-7,18,20H,4-5,8-16H2,(H,21,22).
What are the key properties of 4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide?
4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide has a molecular weight of 318.46 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethoxy)-N-(2-piperidin-3-ylethyl)butanamide is sourced from PubChem (CID 119556464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).