tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate

C23H28N2O3 — CID 171396759

IUPACtert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate
SMILESC=Cc1cccc2cc(C(=O)N3CCC[C@H](NC(=O)OC(C)(C)C)C3)ccc12
InChIInChI=1S/C23H28N2O3/c1-5-16-8-6-9-17-14-18(11-12-20(16)17)21(26)25-13-7-10-19(15-25)24-22(27)28-23(2,3)4/h5-6,8-9,11-12,14,19H,1,7,10,13,15H2,2-4H3,(H,24,27)/t19-/m0/s1
InChIKeyVJQIZODHVNWYAO-IBGZPJMESA-N
MW380.49 g/mol
LogP4.61
Rot. Bonds3

About tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate (PubChem CID 171396759) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate
PubChem CID171396759
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nametert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate
SMILESC=Cc1cccc2cc(C(=O)N3CCC[C@H](NC(=O)OC(C)(C)C)C3)ccc12
InChIInChI=1S/C23H28N2O3/c1-5-16-8-6-9-17-14-18(11-12-20(16)17)21(26)25-13-7-10-19(15-25)24-22(27)28-23(2,3)4/h5-6,8-9,11-12,14,19H,1,7,10,13,15H2,2-4H3,(H,24,27)/t19-/m0/s1
InChIKeyVJQIZODHVNWYAO-IBGZPJMESA-N
XLogP4.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
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tert-butyl N-[1-(4-chloroquinazoline-7-carbonyl)piperidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(3-amino-4-propan-2-yloxybenzoyl)piperidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-(8-bromonaphthalene-1-carbonyl)piperidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-3-yl]carbamate
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3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
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tert-butyl N-[(3S)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 172646626
tert-butyl N-[(3R)-1-(3-bromo-4,5-difluorobenzoyl)piperidin-3-yl]carbamate
CID 172646625
tert-butyl N-[(3S)-1-(3-bromo-4-iodobenzoyl)pyrrolidin-3-yl]carbamate
CID 170590095
tert-butyl N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate (CID 171396759) is tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate is C=Cc1cccc2cc(C(=O)N3CCC[C@H](NC(=O)OC(C)(C)C)C3)ccc12.
What is the InChIKey of tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is VJQIZODHVNWYAO-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-16-8-6-9-17-14-18(11-12-20(16)17)21(26)25-13-7-10-19(15-25)24-22(27)28-23(2,3)4/h5-6,8-9,11-12,14,19H,1,7,10,13,15H2,2-4H3,(H,24,27)/t19-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 171396759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).