naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate

C23H23N3O3 — CID 24657741

IUPACnaphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
SMILESNC(=O)c1ccc(N2CCC(C(=O)OCc3cccc4ccccc34)CC2)nc1
InChIInChI=1S/C23H23N3O3/c24-22(27)18-8-9-21(25-14-18)26-12-10-17(11-13-26)23(28)29-15-19-6-3-5-16-4-1-2-7-20(16)19/h1-9,14,17H,10-13,15H2,(H2,24,27)
InChIKeyPOCSIDVHHXUZPE-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.29
Rot. Bonds5

About naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate

naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate (PubChem CID 24657741) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
PubChem CID24657741
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namenaphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
SMILESNC(=O)c1ccc(N2CCC(C(=O)OCc3cccc4ccccc34)CC2)nc1
InChIInChI=1S/C23H23N3O3/c24-22(27)18-8-9-21(25-14-18)26-12-10-17(11-13-26)23(28)29-15-19-6-3-5-16-4-1-2-7-20(16)19/h1-9,14,17H,10-13,15H2,(H2,24,27)
InChIKeyPOCSIDVHHXUZPE-UHFFFAOYSA-N
XLogP3.29
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24590694
naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711326
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24657765
[(1S)-2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 51929065
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24657763
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
4-fluoro-3-[4-(naphthalen-1-ylmethoxycarbonyl)cyclohexyl]oxybenzoic acid
CID 167110774

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
The IUPAC name of naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate (CID 24657741) is naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate.
What is the SMILES notation for naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
The canonical SMILES for naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate is NC(=O)c1ccc(N2CCC(C(=O)OCc3cccc4ccccc34)CC2)nc1.
What is the InChIKey of naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
The InChIKey is POCSIDVHHXUZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c24-22(27)18-8-9-21(25-14-18)26-12-10-17(11-13-26)23(28)29-15-19-6-3-5-16-4-1-2-7-20(16)19/h1-9,14,17H,10-13,15H2,(H2,24,27).
What are the key properties of naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate?
naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate has a molecular weight of 389.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 24657741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).