1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide

C25H39N3O3 — CID 19872438

IUPAC1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCN(CCCC(=O)N1CCC(C(=O)N(C)C)CC1)C1CCc2cc(OC)ccc2C1
InChIInChI=1S/C25H39N3O3/c1-5-27(22-10-8-21-18-23(31-4)11-9-20(21)17-22)14-6-7-24(29)28-15-12-19(13-16-28)25(30)26(2)3/h9,11,18-19,22H,5-8,10,12-17H2,1-4H3
InChIKeySMNYNOILRYNOLA-UHFFFAOYSA-N
MW429.61 g/mol
LogP2.98
Rot. Bonds8

About 1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide

1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 19872438) has the molecular formula C25H39N3O3 and a molecular weight of 429.61 g/mol. Its IUPAC name is 1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID19872438
Molecular FormulaC25H39N3O3
Molecular Weight429.61 g/mol
Exact Mass429.30
IUPAC Name1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCN(CCCC(=O)N1CCC(C(=O)N(C)C)CC1)C1CCc2cc(OC)ccc2C1
InChIInChI=1S/C25H39N3O3/c1-5-27(22-10-8-21-18-23(31-4)11-9-20(21)17-22)14-6-7-24(29)28-15-12-19(13-16-28)25(30)26(2)3/h9,11,18-19,22H,5-8,10,12-17H2,1-4H3
InChIKeySMNYNOILRYNOLA-UHFFFAOYSA-N
XLogP2.98
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide with MolForge

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Related Compounds

4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butyl 2,6-dimethoxybenzoate
CID 12843156
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
1-[3-(4-methoxyphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110350832
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butanoic acid
CID 115511176
4-[4-[ethyl-(5-methoxy-2,3-dihydro-1H-inden-2-yl)amino]butyl]-1,4-diazepan-5-one
CID 22640269
(2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486652
[4-[(2S)-2-[[4-[4-(dimethylcarbamoyl)piperidin-1-yl]-4-oxobutyl]-ethylamino]propyl]phenyl] benzoate
CID 18637059
3-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-1-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-1-one
CID 97203723
1-(4-hydroxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200392
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpropanoic acid
CID 115511164
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide
CID 45139976
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide
CID 69361135

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide (CID 19872438) is 1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide is CCN(CCCC(=O)N1CCC(C(=O)N(C)C)CC1)C1CCc2cc(OC)ccc2C1.
What is the InChIKey of 1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is SMNYNOILRYNOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3/c1-5-27(22-10-8-21-18-23(31-4)11-9-20(21)17-22)14-6-7-24(29)28-15-12-19(13-16-28)25(30)26(2)3/h9,11,18-19,22H,5-8,10,12-17H2,1-4H3.
What are the key properties of 1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 429.61 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]butanoyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 19872438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).