4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide

C9H17F2N3O2 — CID 103787894

IUPAC4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCC(O)C(F)F)CC1
InChIInChI=1S/C9H17F2N3O2/c10-8(11)7(15)5-13-6-1-3-14(4-2-6)9(12)16/h6-8,13,15H,1-5H2,(H2,12,16)
InChIKeyUJQXXWBSMDFUNH-UHFFFAOYSA-N
MW237.25 g/mol
LogP-0.25
Rot. Bonds4

About 4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide

4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide (PubChem CID 103787894) has the molecular formula C9H17F2N3O2 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
PubChem CID103787894
Molecular FormulaC9H17F2N3O2
Molecular Weight237.25 g/mol
Exact Mass237.13
IUPAC Name4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCC(O)C(F)F)CC1
InChIInChI=1S/C9H17F2N3O2/c10-8(11)7(15)5-13-6-1-3-14(4-2-6)9(12)16/h6-8,13,15H,1-5H2,(H2,12,16)
InChIKeyUJQXXWBSMDFUNH-UHFFFAOYSA-N
XLogP-0.25
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
The IUPAC name of 4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide (CID 103787894) is 4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide is NC(=O)N1CCC(NCC(O)C(F)F)CC1.
What is the InChIKey of 4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
The InChIKey is UJQXXWBSMDFUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3O2/c10-8(11)7(15)5-13-6-1-3-14(4-2-6)9(12)16/h6-8,13,15H,1-5H2,(H2,12,16).
What are the key properties of 4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide?
4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide has a molecular weight of 237.25 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluoro-2-hydroxypropyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 103787894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).