N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide

C12H17N3O2 — CID 175091818

IUPACN-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide
SMILESO=CN[C@H]1CCCCN1NOc1ccccc1
InChIInChI=1S/C12H17N3O2/c16-10-13-12-8-4-5-9-15(12)14-17-11-6-2-1-3-7-11/h1-3,6-7,10,12,14H,4-5,8-9H2,(H,13,16)/t12-/m1/s1
InChIKeyCWSDONYGXVUGSC-GFCCVEGCSA-N
MW235.29 g/mol
LogP1.04
Rot. Bonds5

About N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide

N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide (PubChem CID 175091818) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide.

Molecular Properties

Compound NameN-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide
PubChem CID175091818
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide
SMILESO=CN[C@H]1CCCCN1NOc1ccccc1
InChIInChI=1S/C12H17N3O2/c16-10-13-12-8-4-5-9-15(12)14-17-11-6-2-1-3-7-11/h1-3,6-7,10,12,14H,4-5,8-9H2,(H,13,16)/t12-/m1/s1
InChIKeyCWSDONYGXVUGSC-GFCCVEGCSA-N
XLogP1.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide?
The IUPAC name of N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide (CID 175091818) is N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide.
What is the SMILES notation for N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide?
The canonical SMILES for N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide is O=CN[C@H]1CCCCN1NOc1ccccc1.
What is the InChIKey of N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide?
The InChIKey is CWSDONYGXVUGSC-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-10-13-12-8-4-5-9-15(12)14-17-11-6-2-1-3-7-11/h1-3,6-7,10,12,14H,4-5,8-9H2,(H,13,16)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide?
N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide has a molecular weight of 235.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(phenoxyamino)piperidin-2-yl]formamide is sourced from PubChem (CID 175091818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).