ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate

C14H25N3O4 — CID 8560503

IUPACethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)N(C)CC(=O)NC)C1
InChIInChI=1S/C14H25N3O4/c1-4-21-14(20)11-6-5-7-17(8-11)10-13(19)16(3)9-12(18)15-2/h11H,4-10H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyVEADDGPHRCUVHI-LLVKDONJSA-N
MW299.37 g/mol
LogP-0.53
Rot. Bonds6

About ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 8560503) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID8560503
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nameethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)N(C)CC(=O)NC)C1
InChIInChI=1S/C14H25N3O4/c1-4-21-14(20)11-6-5-7-17(8-11)10-13(19)16(3)9-12(18)15-2/h11H,4-10H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyVEADDGPHRCUVHI-LLVKDONJSA-N
XLogP-0.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 78787403
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
CID 81338447
ethyl 1-[(E)-2-methylbut-2-enyl]piperidine-3-carboxylate
CID 44827929
ethyl (3S)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-3-carboxylate
CID 81339260
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl (3R)-1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 81338286
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-3-carboxylate
CID 53421319
ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115538067

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate (CID 8560503) is ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC(=O)N(C)CC(=O)NC)C1.
What is the InChIKey of ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is VEADDGPHRCUVHI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-21-14(20)11-6-5-7-17(8-11)10-13(19)16(3)9-12(18)15-2/h11H,4-10H2,1-3H3,(H,15,18)/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 299.37 g/mol, XLogP of -0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 8560503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).