(2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide

C16H23FN4O2 — CID 95144992

IUPAC(2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C16H23FN4O2/c1-11(15(18)22)21-7-3-4-12(10-21)9-19-16(23)20-14-6-2-5-13(17)8-14/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3,(H2,18,22)(H2,19,20,23)/t11-,12-/m1/s1
InChIKeySUFLPEYGMNFZMA-VXGBXAGGSA-N
MW322.38 g/mol
LogP1.53
Rot. Bonds5

About (2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide

(2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide (PubChem CID 95144992) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide
PubChem CID95144992
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name(2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C16H23FN4O2/c1-11(15(18)22)21-7-3-4-12(10-21)9-19-16(23)20-14-6-2-5-13(17)8-14/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3,(H2,18,22)(H2,19,20,23)/t11-,12-/m1/s1
InChIKeySUFLPEYGMNFZMA-VXGBXAGGSA-N
XLogP1.53
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(3-aminobutanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119761814
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
1-(3-fluorophenyl)-3-[[1-[2-(4-fluorophenyl)sulfonylpropanoyl]piperidin-3-yl]methyl]urea
CID 51134754
1-(3-fluorophenyl)-3-[[(3R)-1-[(2R)-2-(4-fluorophenyl)sulfonylpropanoyl]piperidin-3-yl]methyl]urea
CID 52522857
1-[[1-(2-amino-2-methylpropyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120848105
1-[[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120988664
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-(3-pyrrolidin-1-ylphenyl)urea
CID 95150446
1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
1-[[1-(3-amino-3-phenylpropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 119950913
1-(3-nitrophenyl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 47085310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide?
The IUPAC name of (2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide (CID 95144992) is (2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide?
The canonical SMILES for (2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide is C[C@H](C(N)=O)N1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of (2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide?
The InChIKey is SUFLPEYGMNFZMA-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-11(15(18)22)21-7-3-4-12(10-21)9-19-16(23)20-14-6-2-5-13(17)8-14/h2,5-6,8,11-12H,3-4,7,9-10H2,1H3,(H2,18,22)(H2,19,20,23)/t11-,12-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide?
(2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide has a molecular weight of 322.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 95144992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).