ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate

C13H23N3O4 — CID 66693827

IUPACethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCC(C(=O)NNC(=O)C(C)C)CN1
InChIInChI=1S/C13H23N3O4/c1-4-20-13(19)10-6-5-9(7-14-10)12(18)16-15-11(17)8(2)3/h8-10,14H,4-7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyQIDLDGCRQALXTP-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.28
Rot. Bonds4

About ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate

ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate (PubChem CID 66693827) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate
PubChem CID66693827
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nameethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCC(C(=O)NNC(=O)C(C)C)CN1
InChIInChI=1S/C13H23N3O4/c1-4-20-13(19)10-6-5-9(7-14-10)12(18)16-15-11(17)8(2)3/h8-10,14H,4-7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyQIDLDGCRQALXTP-UHFFFAOYSA-N
XLogP-0.28
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-carbamoylpiperidine-2-carboxylate
CID 165453986
ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
CID 140523794
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate
CID 59628502
methyl 5-carbamoylpiperidine-2-carboxylate
CID 130740109
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
6-methoxycarbonylpiperidine-3-carboxylic acid
CID 19699657
methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate
CID 129388862
ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 134692711
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
ethyl (2S)-5-(benzylamino)piperidine-2-carboxylate
CID 175512442

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate (CID 66693827) is ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate is CCOC(=O)C1CCC(C(=O)NNC(=O)C(C)C)CN1.
What is the InChIKey of ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate?
The InChIKey is QIDLDGCRQALXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-20-13(19)10-6-5-9(7-14-10)12(18)16-15-11(17)8(2)3/h8-10,14H,4-7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate?
ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methylpropanoylamino)carbamoyl]piperidine-2-carboxylate is sourced from PubChem (CID 66693827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).