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

C9H19FN4O — CID 66581265

IUPAC[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea
SMILESNC[C@@H](F)CN1CCC[C@@H](NC(N)=O)C1
InChIInChI=1S/C9H19FN4O/c10-7(4-11)5-14-3-1-2-8(6-14)13-9(12)15/h7-8H,1-6,11H2,(H3,12,13,15)/t7-,8-/m1/s1
InChIKeyFALHBGKGYVUSAH-HTQZYQBOSA-N
MW218.28 g/mol
LogP-0.58
Rot. Bonds4

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

[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea (PubChem CID 66581265) has the molecular formula C9H19FN4O and a molecular weight of 218.28 g/mol. Its IUPAC name is [(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea.

Molecular Properties

Compound Name[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea
PubChem CID66581265
Molecular FormulaC9H19FN4O
Molecular Weight218.28 g/mol
Exact Mass218.15
IUPAC Name[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea
SMILESNC[C@@H](F)CN1CCC[C@@H](NC(N)=O)C1
InChIInChI=1S/C9H19FN4O/c10-7(4-11)5-14-3-1-2-8(6-14)13-9(12)15/h7-8H,1-6,11H2,(H3,12,13,15)/t7-,8-/m1/s1
InChIKeyFALHBGKGYVUSAH-HTQZYQBOSA-N
XLogP-0.58
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Piperidin-4-yl)imidazolidin-2-one hydrochloride
CID 13031758
1-Piperidinecarboxamide, 3-amino-N,N-dimethyl-
CID 21482877
3-Methyl-1-(1-methylpiperidin-4-yl)urea
CID 59833286
1-(1-Ethylpiperidin-4-yl)-3-propylurea
CID 6468806
3,3-Dimethyl-1-(piperidin-4-yl)urea
CID 18677692
(Piperidin-3-yl)urea
CID 22357499
1-Methyl-3-(piperidin-4-yl)imidazolidin-2-one
CID 23463798
3,3-Dimethyl-1-(piperidin-3-yl)urea
CID 67338659
N-(beta-piperidino)ethylurea
CID 22179619
N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 45497352
N,N-diethyl-N'-({(2S,4S)-4-fluoro-1-[(4-methylpiperazin-1-yl)carbonyl]pyrrolidin-2-yl}methyl)urea
CID 70726560
N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide
CID 126768727

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea?
The IUPAC name of [(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea (CID 66581265) is [(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea.
What is the SMILES notation for [(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea?
The canonical SMILES for [(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea is NC[C@@H](F)CN1CCC[C@@H](NC(N)=O)C1.
What is the InChIKey of [(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea?
The InChIKey is FALHBGKGYVUSAH-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H19FN4O/c10-7(4-11)5-14-3-1-2-8(6-14)13-9(12)15/h7-8H,1-6,11H2,(H3,12,13,15)/t7-,8-/m1/s1.
What are the key properties of [(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea?
[(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea has a molecular weight of 218.28 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2R)-3-amino-2-fluoropropyl]piperidin-3-yl]urea is sourced from PubChem (CID 66581265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).