N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide

C27H28N2O5 — CID 41411139

IUPACN-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)ccc2c1
InChIInChI=1S/C27H28N2O5/c1-17(19-3-4-21-14-23(32-2)7-5-20(21)13-19)27(31)29-11-9-18(10-12-29)26(30)28-22-6-8-24-25(15-22)34-16-33-24/h3-8,13-15,17-18H,9-12,16H2,1-2H3,(H,28,30)/t17-/m0/s1
InChIKeyZPUCSQPRIYQJIC-KRWDZBQOSA-N
MW460.53 g/mol
LogP4.56
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide (PubChem CID 41411139) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
PubChem CID41411139
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
SMILESCOc1ccc2cc([C@H](C)C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)ccc2c1
InChIInChI=1S/C27H28N2O5/c1-17(19-3-4-21-14-23(32-2)7-5-20(21)13-19)27(31)29-11-9-18(10-12-29)26(30)28-22-6-8-24-25(15-22)34-16-33-24/h3-8,13-15,17-18H,9-12,16H2,1-2H3,(H,28,30)/t17-/m0/s1
InChIKeyZPUCSQPRIYQJIC-KRWDZBQOSA-N
XLogP4.56
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxybenzoyl)piperidine-4-carboxamide
CID 41410485
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55940211
1-[(2R)-2-(4-acetylphenoxy)propanoyl]-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 41410637
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951919
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119645365
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119373948
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
4-N-(1,3-benzodioxol-5-yl)-1-N-ethyl-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 166188583
N-(1,3-benzodioxol-5-yl)-1-[1-(3,5-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 167799507
3-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperidin-1-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 146134401
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075592

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide (CID 41411139) is N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide is COc1ccc2cc([C@H](C)C(=O)N3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)ccc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide?
The InChIKey is ZPUCSQPRIYQJIC-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-17(19-3-4-21-14-23(32-2)7-5-20(21)13-19)27(31)29-11-9-18(10-12-29)26(30)28-22-6-8-24-25(15-22)34-16-33-24/h3-8,13-15,17-18H,9-12,16H2,1-2H3,(H,28,30)/t17-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 41411139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).