N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide

C28H32N2O5 — CID 25495590

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1
InChIInChI=1S/C28H32N2O5/c1-18(24-17-20(33-2)9-11-26(24)35-4)29-27(31)19-13-15-30(16-14-19)28(32)23-10-12-25(34-3)22-8-6-5-7-21(22)23/h5-12,17-19H,13-16H2,1-4H3,(H,29,31)/t18-/m0/s1
InChIKeyJARSWUJAYNEBFB-SFHVURJKSA-N
MW476.57 g/mol
LogP4.60
Rot. Bonds7

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 25495590) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID25495590
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1
InChIInChI=1S/C28H32N2O5/c1-18(24-17-20(33-2)9-11-26(24)35-4)29-27(31)19-13-15-30(16-14-19)28(32)23-10-12-25(34-3)22-8-6-5-7-21(22)23/h5-12,17-19H,13-16H2,1-4H3,(H,29,31)/t18-/m0/s1
InChIKeyJARSWUJAYNEBFB-SFHVURJKSA-N
XLogP4.60
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 51221677
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682
1-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 25490674
(2R)-2-[[1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carbonyl]amino]pentanoic acid
CID 97338752
1-[(4-chlorophenyl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 133161823
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100773907
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27883270
1-(3,4-dimethoxybenzoyl)-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 132667894
(3R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 51959136
1-(benzenesulfonyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 55650398
1-(4-methoxynaphthalene-1-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperidine-4-carboxamide
CID 47017719
ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 43057044

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide (CID 25495590) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide is COc1ccc(OC)c([C@H](C)NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is JARSWUJAYNEBFB-SFHVURJKSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-18(24-17-20(33-2)9-11-26(24)35-4)29-27(31)19-13-15-30(16-14-19)28(32)23-10-12-25(34-3)22-8-6-5-7-21(22)23/h5-12,17-19H,13-16H2,1-4H3,(H,29,31)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-1-(4-methoxynaphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 25495590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).