(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

C22H34N2O2 — CID 100569512

IUPAC(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCCC1
InChIInChI=1S/C22H34N2O2/c1-2-21(22(25)23-13-8-16-24-14-6-3-7-15-24)26-20-12-11-18-9-4-5-10-19(18)17-20/h11-12,17,21H,2-10,13-16H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyQZKSHWNUKLRDCX-NRFANRHFSA-N
MW358.53 g/mol
LogP3.71
Rot. Bonds8

About (2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (PubChem CID 100569512) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is (2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
PubChem CID100569512
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
SMILESCC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCCC1
InChIInChI=1S/C22H34N2O2/c1-2-21(22(25)23-13-8-16-24-14-6-3-7-15-24)26-20-12-11-18-9-4-5-10-19(18)17-20/h11-12,17,21H,2-10,13-16H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyQZKSHWNUKLRDCX-NRFANRHFSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162658
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 28576885
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185085
(2R)-N-[3-(azepan-1-yl)propyl]-2-(3-methylphenoxy)butanamide
CID 30399469
N-(3-cyclopentyloxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133249694
N-(2-phenylethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133161448
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133201702
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133164796
(2R)-2-(2-methylphenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 99952065
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The IUPAC name of (2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide (CID 100569512) is (2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide.
What is the SMILES notation for (2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The canonical SMILES for (2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN1CCCCC1.
What is the InChIKey of (2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
The InChIKey is QZKSHWNUKLRDCX-NRFANRHFSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-2-21(22(25)23-13-8-16-24-14-6-3-7-15-24)26-20-12-11-18-9-4-5-10-19(18)17-20/h11-12,17,21H,2-10,13-16H2,1H3,(H,23,25)/t21-/m0/s1.
What are the key properties of (2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide?
(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide has a molecular weight of 358.53 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide is sourced from PubChem (CID 100569512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).