tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate

C17H27N3O2 — CID 98232041

IUPACtert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
SMILESC[C@H](c1ccccn1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H27N3O2/c1-13(15-9-5-6-10-18-15)20-11-7-8-14(12-20)19-16(21)22-17(2,3)4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyFHGVPLURQHUYFF-ZIAGYGMSSA-N
MW305.42 g/mol
LogP3.13
Rot. Bonds3

About tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate (PubChem CID 98232041) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
PubChem CID98232041
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
SMILESC[C@H](c1ccccn1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H27N3O2/c1-13(15-9-5-6-10-18-15)20-11-7-8-14(12-20)19-16(21)22-17(2,3)4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,19,21)/t13-,14-/m1/s1
InChIKeyFHGVPLURQHUYFF-ZIAGYGMSSA-N
XLogP3.13
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 99725150
tert-butyl N-[(3R)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]carbamate
CID 97175522
tert-butyl N-[(3S)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]carbamate
CID 97175587
tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate
CID 129460914
tert-butyl N-methyl-N-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 129425282
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbamate
CID 97174124
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid
CID 124929955
tert-butyl N-[(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]carbamate
CID 97175514
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetic acid
CID 124704828
tert-butyl N-[(1R)-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]ethyl]carbamate
CID 97086186
tert-butyl N-[(2R)-1-oxo-1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]propan-2-yl]carbamate
CID 94518257

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate (CID 98232041) is tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate is C[C@H](c1ccccn1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate?
The InChIKey is FHGVPLURQHUYFF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13(15-9-5-6-10-18-15)20-11-7-8-14(12-20)19-16(21)22-17(2,3)4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,19,21)/t13-,14-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 98232041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).