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

C26H34N2O2 — CID 125058665

IUPAC(2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)Oc3cccc4c3CCCC4)cc2)C1
InChIInChI=1S/C26H34N2O2/c1-19-7-6-16-28(18-19)23-14-12-21(13-15-23)17-27-26(29)20(2)30-25-11-5-9-22-8-3-4-10-24(22)25/h5,9,11-15,19-20H,3-4,6-8,10,16-18H2,1-2H3,(H,27,29)/t19-,20+/m0/s1
InChIKeyVBAMVBHJHFYKHS-VQTJNVASSA-N
MW406.57 g/mol
LogP4.89
Rot. Bonds6

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

(2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 125058665) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is (2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID125058665
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name(2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)Oc3cccc4c3CCCC4)cc2)C1
InChIInChI=1S/C26H34N2O2/c1-19-7-6-16-28(18-19)23-14-12-21(13-15-23)17-27-26(29)20(2)30-25-11-5-9-22-8-3-4-10-24(22)25/h5,9,11-15,19-20H,3-4,6-8,10,16-18H2,1-2H3,(H,27,29)/t19-,20+/m0/s1
InChIKeyVBAMVBHJHFYKHS-VQTJNVASSA-N
XLogP4.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.89
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-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133228992
N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235388
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200328
(2S)-1-[(3R)-3-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-1-one
CID 100768275
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624
(2R)-N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100548564
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133199399
(2R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100711289
N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43908232
N-[[4-[(3R)-3-methylpiperidin-1-yl]phenyl]methyl]cyclopropanecarboxamide
CID 100610781
N-(2-cyclopentylsulfanylethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133235185
N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of (2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 125058665) is (2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for (2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for (2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)Oc3cccc4c3CCCC4)cc2)C1.
What is the InChIKey of (2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is VBAMVBHJHFYKHS-VQTJNVASSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-19-7-6-16-28(18-19)23-14-12-21(13-15-23)17-27-26(29)20(2)30-25-11-5-9-22-8-3-4-10-24(22)25/h5,9,11-15,19-20H,3-4,6-8,10,16-18H2,1-2H3,(H,27,29)/t19-,20+/m0/s1.
What are the key properties of (2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
(2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 406.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 125058665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).