ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate

C14H24N4O2 — CID 125445579

IUPACethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@@H](C)c2ncc(C)[nH]2)CC1
InChIInChI=1S/C14H24N4O2/c1-4-20-14(19)18-7-5-12(6-8-18)17-11(3)13-15-9-10(2)16-13/h9,11-12,17H,4-8H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyNANFFKKUINTOLG-NSHDSACASA-N
MW280.37 g/mol
LogP1.99
Rot. Bonds4

About ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate

ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate (PubChem CID 125445579) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate
PubChem CID125445579
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Nameethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@@H](C)c2ncc(C)[nH]2)CC1
InChIInChI=1S/C14H24N4O2/c1-4-20-14(19)18-7-5-12(6-8-18)17-11(3)13-15-9-10(2)16-13/h9,11-12,17H,4-8H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyNANFFKKUINTOLG-NSHDSACASA-N
XLogP1.99
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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CID 54884832
ethyl 4-[(3-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxylate
CID 65333122
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CID 81390651
ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 110773503
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535
ethyl 4-[[5-(cyclopropylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109247316
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate (CID 125445579) is ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N[C@@H](C)c2ncc(C)[nH]2)CC1.
What is the InChIKey of ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate?
The InChIKey is NANFFKKUINTOLG-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-20-14(19)18-7-5-12(6-8-18)17-11(3)13-15-9-10(2)16-13/h9,11-12,17H,4-8H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 125445579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).