methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate

C19H25N3O4 — CID 7513661

IUPACmethyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1
InChIInChI=1S/C19H25N3O4/c1-13-3-5-16(6-4-13)22-12-15(11-17(22)23)20-19(25)21-9-7-14(8-10-21)18(24)26-2/h3-6,14-15H,7-12H2,1-2H3,(H,20,25)/t15-/m0/s1
InChIKeyMRYUNMYVOHYYSV-HNNXBMFYSA-N
MW359.43 g/mol
LogP1.69
Rot. Bonds3

About methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate

methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate (PubChem CID 7513661) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
PubChem CID7513661
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namemethyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1
InChIInChI=1S/C19H25N3O4/c1-13-3-5-16(6-4-13)22-12-15(11-17(22)23)20-19(25)21-9-7-14(8-10-21)18(24)26-2/h3-6,14-15H,7-12H2,1-2H3,(H,20,25)/t15-/m0/s1
InChIKeyMRYUNMYVOHYYSV-HNNXBMFYSA-N
XLogP1.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 43969844
4-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 43969378
methyl 1-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 43970125
ethyl 4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7513689
ethyl 1-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542981
ethyl 1-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542980
1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 7216120
4-ethyl-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazin-4-ium-1-carboxamide
CID 7513687
4-(4-acetylphenyl)-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7162491
1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 7209085
4-(furan-2-carbonyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209116
N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 7215665

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate (CID 7513661) is methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1.
What is the InChIKey of methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate?
The InChIKey is MRYUNMYVOHYYSV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-3-5-16(6-4-13)22-12-15(11-17(22)23)20-19(25)21-9-7-14(8-10-21)18(24)26-2/h3-6,14-15H,7-12H2,1-2H3,(H,20,25)/t15-/m0/s1.
What are the key properties of methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate?
methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 7513661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).