1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea

C10H21FN4O — CID 89495119

IUPAC1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea
SMILESCNC(=O)N[C@@H]1CCCN(C[C@H](F)CN)C1
InChIInChI=1S/C10H21FN4O/c1-13-10(16)14-9-3-2-4-15(7-9)6-8(11)5-12/h8-9H,2-7,12H2,1H3,(H2,13,14,16)/t8-,9-/m1/s1
InChIKeyWGJXCSMWOKGLMJ-RKDXNWHRSA-N
MW232.30 g/mol
LogP-0.32
Rot. Bonds4

About 1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea

1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea (PubChem CID 89495119) has the molecular formula C10H21FN4O and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea.

Molecular Properties

Compound Name1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea
PubChem CID89495119
Molecular FormulaC10H21FN4O
Molecular Weight232.30 g/mol
Exact Mass232.17
IUPAC Name1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea
SMILESCNC(=O)N[C@@H]1CCCN(C[C@H](F)CN)C1
InChIInChI=1S/C10H21FN4O/c1-13-10(16)14-9-3-2-4-15(7-9)6-8(11)5-12/h8-9H,2-7,12H2,1H3,(H2,13,14,16)/t8-,9-/m1/s1
InChIKeyWGJXCSMWOKGLMJ-RKDXNWHRSA-N
XLogP-0.32
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea?
The IUPAC name of 1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea (CID 89495119) is 1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea.
What is the SMILES notation for 1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea?
The canonical SMILES for 1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea is CNC(=O)N[C@@H]1CCCN(C[C@H](F)CN)C1.
What is the InChIKey of 1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea?
The InChIKey is WGJXCSMWOKGLMJ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21FN4O/c1-13-10(16)14-9-3-2-4-15(7-9)6-8(11)5-12/h8-9H,2-7,12H2,1H3,(H2,13,14,16)/t8-,9-/m1/s1.
What are the key properties of 1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea?
1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea has a molecular weight of 232.30 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]-3-methylurea is sourced from PubChem (CID 89495119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).