1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide

C21H30N2O3 — CID 97283398

IUPAC1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C21H30N2O3/c1-15(18-8-7-16-5-3-4-6-19(16)13-18)22-21(25)17-9-11-23(12-10-17)20(24)14-26-2/h7-8,13,15,17H,3-6,9-12,14H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyXLKSYYRUVRMVEV-OAHLLOKOSA-N
MW358.48 g/mol
LogP2.63
Rot. Bonds5

About 1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide

1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 97283398) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID97283398
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
SMILESCOCC(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C21H30N2O3/c1-15(18-8-7-16-5-3-4-6-19(16)13-18)22-21(25)17-9-11-23(12-10-17)20(24)14-26-2/h7-8,13,15,17H,3-6,9-12,14H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyXLKSYYRUVRMVEV-OAHLLOKOSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexanecarboxamide
CID 127109666
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclopropanecarboxamide
CID 94487664
4-(pyrrolidine-1-carbonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-1-carboxamide
CID 87000226
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 71912134
1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 133190680
3-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119691302
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 133185942
1-[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl]-N-propylpiperidine-4-carboxamide
CID 134046428
2-(2-methylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 108511212
cis-(1R,2S)-2-methyl-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 31442780
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 133185941
(3R)-1-[2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]acetyl]piperidine-3-carboxamide
CID 124596642

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide (CID 97283398) is 1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide is COCC(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is XLKSYYRUVRMVEV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(18-8-7-16-5-3-4-6-19(16)13-18)22-21(25)17-9-11-23(12-10-17)20(24)14-26-2/h7-8,13,15,17H,3-6,9-12,14H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of 1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide?
1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 97283398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).