N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide

C17H23N3O2 — CID 144616248

IUPACN-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide
SMILESCC(=O)/N=C(\N)c1ccccc1C(=O)N1CC(C)CC[C@H]1C
InChIInChI=1S/C17H23N3O2/c1-11-8-9-12(2)20(10-11)17(22)15-7-5-4-6-14(15)16(18)19-13(3)21/h4-7,11-12H,8-10H2,1-3H3,(H2,18,19,21)/t11?,12-/m1/s1
InChIKeyRVWYDSWWJCJQEJ-PIJUOVFKSA-N
MW301.39 g/mol
LogP2.20
Rot. Bonds2

About N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide

N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide (PubChem CID 144616248) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide.

Molecular Properties

Compound NameN-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide
PubChem CID144616248
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide
SMILESCC(=O)/N=C(\N)c1ccccc1C(=O)N1CC(C)CC[C@H]1C
InChIInChI=1S/C17H23N3O2/c1-11-8-9-12(2)20(10-11)17(22)15-7-5-4-6-14(15)16(18)19-13(3)21/h4-7,11-12H,8-10H2,1-3H3,(H2,18,19,21)/t11?,12-/m1/s1
InChIKeyRVWYDSWWJCJQEJ-PIJUOVFKSA-N
XLogP2.20
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide?
The IUPAC name of N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide (CID 144616248) is N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide.
What is the SMILES notation for N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide?
The canonical SMILES for N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide is CC(=O)/N=C(\N)c1ccccc1C(=O)N1CC(C)CC[C@H]1C.
What is the InChIKey of N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide?
The InChIKey is RVWYDSWWJCJQEJ-PIJUOVFKSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-8-9-12(2)20(10-11)17(22)15-7-5-4-6-14(15)16(18)19-13(3)21/h4-7,11-12H,8-10H2,1-3H3,(H2,18,19,21)/t11?,12-/m1/s1.
What are the key properties of N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide?
N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[2-[(2R)-2,5-dimethylpiperidine-1-carbonyl]phenyl]methylidene]acetamide is sourced from PubChem (CID 144616248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).