2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate

C12H20N2O4 — CID 79346721

IUPAC2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)OCCO)CC1)C1CC1
InChIInChI=1S/C12H20N2O4/c15-7-8-18-12(17)14-5-3-10(4-6-14)13-11(16)9-1-2-9/h9-10,15H,1-8H2,(H,13,16)
InChIKeyMMIOAFGXKQCXOI-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.11
Rot. Bonds4

About 2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate

2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate (PubChem CID 79346721) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate
PubChem CID79346721
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)OCCO)CC1)C1CC1
InChIInChI=1S/C12H20N2O4/c15-7-8-18-12(17)14-5-3-10(4-6-14)13-11(16)9-1-2-9/h9-10,15H,1-8H2,(H,13,16)
InChIKeyMMIOAFGXKQCXOI-UHFFFAOYSA-N
XLogP0.11
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109144510
ethyl 4-[[4-(tert-butylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109149356
ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
CID 24699538
2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 79345168
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
2-hydroxyethyl 4-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 79349412
2-hydroxyethyl 2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 79345365
methyl 3-(cyclopropanecarbonylamino)pyrrolidine-1-carboxylate
CID 71998519
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
CID 62776469
ethyl 4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoate
CID 60758306
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate (CID 79346721) is 2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate is O=C(NC1CCN(C(=O)OCCO)CC1)C1CC1.
What is the InChIKey of 2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate?
The InChIKey is MMIOAFGXKQCXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-7-8-18-12(17)14-5-3-10(4-6-14)13-11(16)9-1-2-9/h9-10,15H,1-8H2,(H,13,16).
What are the key properties of 2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate?
2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate has a molecular weight of 256.30 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-(cyclopropanecarbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 79346721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).