tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate

C21H25NO3 — CID 174881226

IUPACtert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H25NO3/c1-21(2,3)25-20(24)22-12-6-9-18(14-22)19(23)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13,18H,6,9,12,14H2,1-3H3
InChIKeyHHHNEKGFKOTMQU-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.67
Rot. Bonds2

About tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate

tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate (PubChem CID 174881226) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
PubChem CID174881226
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Nametert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H25NO3/c1-21(2,3)25-20(24)22-12-6-9-18(14-22)19(23)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13,18H,6,9,12,14H2,1-3H3
InChIKeyHHHNEKGFKOTMQU-UHFFFAOYSA-N
XLogP4.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(4-methylbenzoyl)piperidine-1-carboxylate
CID 122200685
tert-butyl 3-[4-(hydroxymethyl)naphthalene-2-carbonyl]piperidine-1-carboxylate
CID 121473838
2-amino-2-methyl-1-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]propan-1-one
CID 97138818
tert-butyl 3-(6-cyano-5-methylnaphthalene-2-carbonyl)piperidine-1-carboxylate
CID 121473867
tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
CID 122359770
tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate
CID 164888367
tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate
CID 59382852
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
CID 164888365
naphthalen-2-yl-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 25281752
4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide
CID 45220396

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate (CID 174881226) is tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate?
The InChIKey is HHHNEKGFKOTMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-21(2,3)25-20(24)22-12-6-9-18(14-22)19(23)17-11-10-15-7-4-5-8-16(15)13-17/h4-5,7-8,10-11,13,18H,6,9,12,14H2,1-3H3.
What are the key properties of tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate?
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 174881226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).