naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

C21H21N3O2 — CID 46457559

IUPACnaphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESO=C(OCc1cccc2ccccc12)C1CCCCN1c1ncccn1
InChIInChI=1S/C21H21N3O2/c25-20(19-11-3-4-14-24(19)21-22-12-6-13-23-21)26-15-17-9-5-8-16-7-1-2-10-18(16)17/h1-2,5-10,12-13,19H,3-4,11,14-15H2
InChIKeySFOGCPZPBSVCCB-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.73
Rot. Bonds4

About naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate

naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate (PubChem CID 46457559) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
PubChem CID46457559
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Namenaphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
SMILESO=C(OCc1cccc2ccccc12)C1CCCCN1c1ncccn1
InChIInChI=1S/C21H21N3O2/c25-20(19-11-3-4-14-24(19)21-22-12-6-13-23-21)26-15-17-9-5-8-16-7-1-2-10-18(16)17/h1-2,5-10,12-13,19H,3-4,11,14-15H2
InChIKeySFOGCPZPBSVCCB-UHFFFAOYSA-N
XLogP3.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloroquinolin-3-yl)methyl (2S)-1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 38485175
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 38485472
naphthalen-1-ylmethyl (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxylate
CID 55943866
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601875
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601907
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601876
1-O-tert-butyl 2-O-(naphthalen-1-ylmethyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908656
[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601846
[2-(5-methylthiophen-2-yl)-2-oxoethyl] (2R)-1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 38483346
naphthalen-1-ylmethyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711326
[2-(3,5-difluoroanilino)-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
CID 55601869
naphthalen-1-ylmethyl 1-(5-carbamoyl-2-pyridinyl)piperidine-4-carboxylate
CID 24657741

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The IUPAC name of naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate (CID 46457559) is naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate.
What is the SMILES notation for naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The canonical SMILES for naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate is O=C(OCc1cccc2ccccc12)C1CCCCN1c1ncccn1.
What is the InChIKey of naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
The InChIKey is SFOGCPZPBSVCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(19-11-3-4-14-24(19)21-22-12-6-13-23-21)26-15-17-9-5-8-16-7-1-2-10-18(16)17/h1-2,5-10,12-13,19H,3-4,11,14-15H2.
What are the key properties of naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate?
naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 1-pyrimidin-2-ylpiperidine-2-carboxylate is sourced from PubChem (CID 46457559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).