1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide

C16H20FN3O2 — CID 95588991

IUPAC1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1
InChIInChI=1S/C16H20FN3O2/c17-12-3-1-2-11(8-12)13-9-14(13)19-16(22)20-6-4-10(5-7-20)15(18)21/h1-3,8,10,13-14H,4-7,9H2,(H2,18,21)(H,19,22)/t13-,14+/m1/s1
InChIKeyVKISRWZRZGFWNC-KGLIPLIRSA-N
MW305.35 g/mol
LogP1.59
Rot. Bonds3

About 1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide

1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide (PubChem CID 95588991) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide
PubChem CID95588991
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1
InChIInChI=1S/C16H20FN3O2/c17-12-3-1-2-11(8-12)13-9-14(13)19-16(22)20-6-4-10(5-7-20)15(18)21/h1-3,8,10,13-14H,4-7,9H2,(H2,18,21)(H,19,22)/t13-,14+/m1/s1
InChIKeyVKISRWZRZGFWNC-KGLIPLIRSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide (CID 95588991) is 1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1.
What is the InChIKey of 1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide?
The InChIKey is VKISRWZRZGFWNC-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H20FN3O2/c17-12-3-1-2-11(8-12)13-9-14(13)19-16(22)20-6-4-10(5-7-20)15(18)21/h1-3,8,10,13-14H,4-7,9H2,(H2,18,21)(H,19,22)/t13-,14+/m1/s1.
What are the key properties of 1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide?
1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide has a molecular weight of 305.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 95588991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).