tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate

C16H25N3O2 — CID 97166902

IUPACtert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18(4)13-8-7-11-19(12-13)14-9-5-6-10-17-14/h5-6,9-10,13H,7-8,11-12H2,1-4H3/t13-/m0/s1
InChIKeyGNPRYDHFZAZBEP-ZDUSSCGKSA-N
MW291.39 g/mol
LogP2.92
Rot. Bonds2

About tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate

tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate (PubChem CID 97166902) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
PubChem CID97166902
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Nametert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18(4)13-8-7-11-19(12-13)14-9-5-6-10-17-14/h5-6,9-10,13H,7-8,11-12H2,1-4H3/t13-/m0/s1
InChIKeyGNPRYDHFZAZBEP-ZDUSSCGKSA-N
XLogP2.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-methyl-N-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
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ethyl 6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]pyridine-3-carboxylate
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2-(2-methoxyphenyl)-N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]acetamide
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tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
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tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
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N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
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tert-butyl N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 71647039
tert-butyl N-[(3S)-1-(2-chloropyridine-3-carbonyl)piperidin-3-yl]-N-methylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate (CID 97166902) is tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate?
The InChIKey is GNPRYDHFZAZBEP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18(4)13-8-7-11-19(12-13)14-9-5-6-10-17-14/h5-6,9-10,13H,7-8,11-12H2,1-4H3/t13-/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate has a molecular weight of 291.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate is sourced from PubChem (CID 97166902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).