(2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C27H36N2O2 — CID 100548564

IUPAC(2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C27H36N2O2/c1-3-26(31-25-15-12-22-8-4-5-9-23(22)17-25)27(30)28-18-21-10-13-24(14-11-21)29-16-6-7-20(2)19-29/h10-15,17,20,26H,3-9,16,18-19H2,1-2H3,(H,28,30)/t20-,26-/m1/s1
InChIKeyHDMDHZKAAORQCE-FQRUVTKNSA-N
MW420.60 g/mol
LogP5.28
Rot. Bonds7

About (2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

(2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 100548564) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is (2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID100548564
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Name(2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C27H36N2O2/c1-3-26(31-25-15-12-22-8-4-5-9-23(22)17-25)27(30)28-18-21-10-13-24(14-11-21)29-16-6-7-20(2)19-29/h10-15,17,20,26H,3-9,16,18-19H2,1-2H3,(H,28,30)/t20-,26-/m1/s1
InChIKeyHDMDHZKAAORQCE-FQRUVTKNSA-N
XLogP5.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.28
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

N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200328
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
(2R)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100771364
(2S)-2-naphthalen-2-yloxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 99951850
(2S)-2-(4-fluorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 30400873
N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133184927
(2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 125058665
N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxybutanamide
CID 132669057
(2S)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]butanamide
CID 125044759
(2R)-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100717488
N-(cyclobutylmethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)butanamide
CID 110281951
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of (2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 100548564) is (2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for (2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for (2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1.
What is the InChIKey of (2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is HDMDHZKAAORQCE-FQRUVTKNSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-3-26(31-25-15-12-22-8-4-5-9-23(22)17-25)27(30)28-18-21-10-13-24(14-11-21)29-16-6-7-20(2)19-29/h10-15,17,20,26H,3-9,16,18-19H2,1-2H3,(H,28,30)/t20-,26-/m1/s1.
What are the key properties of (2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
(2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 420.60 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 100548564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).