(3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide

C16H22N4O3 — CID 95336199

IUPAC(3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C16H22N4O3/c1-11-7-8-12(15(17)22)9-20(11)10-14(21)19-16(23)18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H2,17,22)(H2,18,19,21,23)/t11-,12-/m1/s1
InChIKeyLVUPGCRSRHRDQM-VXGBXAGGSA-N
MW318.38 g/mol
LogP0.92
Rot. Bonds4

About (3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide

(3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide (PubChem CID 95336199) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide
PubChem CID95336199
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide
SMILESC[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C16H22N4O3/c1-11-7-8-12(15(17)22)9-20(11)10-14(21)19-16(23)18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H2,17,22)(H2,18,19,21,23)/t11-,12-/m1/s1
InChIKeyLVUPGCRSRHRDQM-VXGBXAGGSA-N
XLogP0.92
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6R)-1-[2-(2-acetylanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95150425
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540742
(3R,6R)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-6-methylpiperidine-3-carboxamide
CID 95151655
(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide
CID 95342008
1-(2-anilinoacetyl)-6-methylpiperidine-3-carboxamide
CID 60963532
6-methyl-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-3-carboxamide
CID 56825445
(3R,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95621691
(3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95621689
1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 42948760
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
3-oxo-N-(phenylcarbamoyl)butanamide
CID 10466039
1-[[3-(hydrazinecarbonyl)phenyl]methyl]-6-methylpiperidine-3-carboxamide
CID 63585615

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide (CID 95336199) is (3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide is C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of (3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is LVUPGCRSRHRDQM-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-7-8-12(15(17)22)9-20(11)10-14(21)19-16(23)18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H2,17,22)(H2,18,19,21,23)/t11-,12-/m1/s1.
What are the key properties of (3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide?
(3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-methyl-1-[2-oxo-2-(phenylcarbamoylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 95336199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).