benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate

C13H17N5O2 — CID 174789732

IUPACbenzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate
SMILES[N-]=[N+]=N[C@@H]1CNCC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17N5O2/c14-18-17-12-8-15-7-6-11(12)16-13(19)20-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,19)/t11-,12+/m0/s1
InChIKeyIYOJTFWXAWXRLZ-NWDGAFQWSA-N
MW275.31 g/mol
LogP1.95
Rot. Bonds4

About benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate

benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate (PubChem CID 174789732) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate
PubChem CID174789732
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Namebenzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate
SMILES[N-]=[N+]=N[C@@H]1CNCC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H17N5O2/c14-18-17-12-8-15-7-6-11(12)16-13(19)20-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,19)/t11-,12+/m0/s1
InChIKeyIYOJTFWXAWXRLZ-NWDGAFQWSA-N
XLogP1.95
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(3S,4R)-3-aminopiperidin-4-yl]carbamate
CID 118048951
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
benzyl N-(3-azido-4-hydroxycyclohexyl)carbamate
CID 171775824
tert-butyl (3R,4S)-3-azido-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 131736927
benzyl N-[(3S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 86648783
benzyl N-(3-azabicyclo[4.1.0]heptan-7-yl)carbamate
CID 117045629
3-azidopiperidin-4-ol;benzyl formate
CID 161036210
benzyl N-[2-(azetidin-3-yl)cyclobutyl]carbamate
CID 165350458
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate (CID 174789732) is benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate is [N-]=[N+]=N[C@@H]1CNCC[C@@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate?
The InChIKey is IYOJTFWXAWXRLZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-18-17-12-8-15-7-6-11(12)16-13(19)20-9-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,19)/t11-,12+/m0/s1.
What are the key properties of benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate?
benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate has a molecular weight of 275.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R,4S)-3-azidopiperidin-4-yl]carbamate is sourced from PubChem (CID 174789732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).