tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate

C16H27N3O2 — CID 86341328

IUPACtert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate
SMILESCC1=CC(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)NC=C1
InChIInChI=1S/C16H27N3O2/c1-12-7-8-17-14(10-12)19-9-5-6-13(11-19)18-15(20)21-16(2,3)4/h7-8,10,13-14,17H,5-6,9,11H2,1-4H3,(H,18,20)/t13-,14?/m0/s1
InChIKeyWRNAPQUCKARCNK-LSLKUGRBSA-N
MW293.41 g/mol
LogP2.36
Rot. Bonds2

About tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate (PubChem CID 86341328) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate
PubChem CID86341328
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate
SMILESCC1=CC(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)NC=C1
InChIInChI=1S/C16H27N3O2/c1-12-7-8-17-14(10-12)19-9-5-6-13(11-19)18-15(20)21-16(2,3)4/h7-8,10,13-14,17H,5-6,9,11H2,1-4H3,(H,18,20)/t13-,14?/m0/s1
InChIKeyWRNAPQUCKARCNK-LSLKUGRBSA-N
XLogP2.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate
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tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
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tert-butyl N-[(3S)-1-(3-amino-1,2-dihydropyridin-4-yl)piperidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-[4-(4-fluorophenyl)-2-hydroxycyclopentyl]piperidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]carbamate
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tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate
CID 122432272
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
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tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate (CID 86341328) is tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate is CC1=CC(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)NC=C1.
What is the InChIKey of tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate?
The InChIKey is WRNAPQUCKARCNK-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12-7-8-17-14(10-12)19-9-5-6-13(11-19)18-15(20)21-16(2,3)4/h7-8,10,13-14,17H,5-6,9,11H2,1-4H3,(H,18,20)/t13-,14?/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(4-methyl-1,2-dihydropyridin-2-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 86341328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).