tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate

C21H26N2O3 — CID 130377934

IUPACtert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C(N)=O)c3ccccc23)CC1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)23-12-10-14(11-13-23)15-8-9-18(19(22)24)17-7-5-4-6-16(15)17/h4-9,14H,10-13H2,1-3H3,(H2,22,24)
InChIKeyGNGQSTCTVQFGAV-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate

tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate (PubChem CID 130377934) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
PubChem CID130377934
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Nametert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C(N)=O)c3ccccc23)CC1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)23-12-10-14(11-13-23)15-8-9-18(19(22)24)17-7-5-4-6-16(15)17/h4-9,14H,10-13H2,1-3H3,(H2,22,24)
InChIKeyGNGQSTCTVQFGAV-UHFFFAOYSA-N
XLogP4.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(7-carbamoyl-1-benzofuran-4-yl)piperidine-1-carboxylate
CID 166523451
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
tert-butyl 4-(2-carbamoyl-6-chlorophenoxy)piperidine-1-carboxylate
CID 141039770
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
tert-butyl 4-(5-methoxycarbonylnaphthalen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxycarbonylnaphthalen-1-yl)piperidine-1-carboxylate;carbanide;palladium
CID 158707474
tert-butyl 4-(6-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate;5-piperidin-4-ylnaphthalene-2-carboxamide;hydrochloride
CID 162194135
tert-butyl 4-(2-benzylphenyl)piperidine-1-carboxylate
CID 21193104
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
CID 143790491
tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate (CID 130377934) is tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(C(N)=O)c3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate?
The InChIKey is GNGQSTCTVQFGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)26-20(25)23-12-10-14(11-13-23)15-8-9-18(19(22)24)17-7-5-4-6-16(15)17/h4-9,14H,10-13H2,1-3H3,(H2,22,24).
What are the key properties of tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 130377934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).