N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide

C28H34N2O2 — CID 132669057

IUPACN-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NC(C)c1ccc(N2CCCC(C)C2)cc1
InChIInChI=1S/C28H34N2O2/c1-4-27(32-26-16-13-23-9-5-6-10-24(23)18-26)28(31)29-21(3)22-11-14-25(15-12-22)30-17-7-8-20(2)19-30/h5-6,9-16,18,20-21,27H,4,7-8,17,19H2,1-3H3,(H,29,31)
InChIKeyRPSBPPSUFWMDRP-UHFFFAOYSA-N
MW430.59 g/mol
LogP6.11
Rot. Bonds7

About N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide

N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 132669057) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide
PubChem CID132669057
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC NameN-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NC(C)c1ccc(N2CCCC(C)C2)cc1
InChIInChI=1S/C28H34N2O2/c1-4-27(32-26-16-13-23-9-5-6-10-24(23)18-26)28(31)29-21(3)22-11-14-25(15-12-22)30-17-7-8-20(2)19-30/h5-6,9-16,18,20-21,27H,4,7-8,17,19H2,1-3H3,(H,29,31)
InChIKeyRPSBPPSUFWMDRP-UHFFFAOYSA-N
XLogP6.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.59
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125043999
(2S)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125044759
(2S)-2-(2,4-dimethylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125044572
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125044052
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 92683395
2-methyl-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 98771920
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]propanamide
CID 125043996
2-(4-tert-butylphenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]butanamide
CID 132670980
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133189081
2-naphthalen-2-yloxy-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166849
(2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 99951850
(2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100548564

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide (CID 132669057) is N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide is CCC(Oc1ccc2ccccc2c1)C(=O)NC(C)c1ccc(N2CCCC(C)C2)cc1.
What is the InChIKey of N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is RPSBPPSUFWMDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c1-4-27(32-26-16-13-23-9-5-6-10-24(23)18-26)28(31)29-21(3)22-11-14-25(15-12-22)30-17-7-8-20(2)19-30/h5-6,9-16,18,20-21,27H,4,7-8,17,19H2,1-3H3,(H,29,31).
What are the key properties of N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide?
N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 430.59 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 132669057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).