2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide

C27H32N2O2 — CID 133166238

IUPAC2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C27H32N2O2/c1-2-25(31-26-16-10-14-21-11-6-7-15-24(21)26)27(30)28-19-22-12-4-5-13-23(22)20-29-17-8-3-9-18-29/h4-7,10-16,25H,2-3,8-9,17-20H2,1H3,(H,28,30)
InChIKeyUNTCAAYUUJYGRL-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.30
Rot. Bonds8

About 2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide

2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide (PubChem CID 133166238) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
PubChem CID133166238
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Name2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C27H32N2O2/c1-2-25(31-26-16-10-14-21-11-6-7-15-24(21)26)27(30)28-19-22-12-4-5-13-23(22)20-29-17-8-3-9-18-29/h4-7,10-16,25H,2-3,8-9,17-20H2,1H3,(H,28,30)
InChIKeyUNTCAAYUUJYGRL-UHFFFAOYSA-N
XLogP5.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-naphthalen-1-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015221
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94028066
2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133187856
2-(2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 46767921
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
(2R)-2-(2-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015546
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015212
(2S)-2-(2-fluorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015582
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2R)-2-(2,3-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015566
(2S)-2-(2-fluorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015253

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide (CID 133166238) is 2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide is CCC(Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCCC1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is UNTCAAYUUJYGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-2-25(31-26-16-10-14-21-11-6-7-15-24(21)26)27(30)28-19-22-12-4-5-13-23(22)20-29-17-8-3-9-18-29/h4-7,10-16,25H,2-3,8-9,17-20H2,1H3,(H,28,30).
What are the key properties of 2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide?
2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 416.57 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 133166238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).