ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate

C16H25N3O2S — CID 84596951

IUPACethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(c2ncc(C)s2)C2CC2)CC1
InChIInChI=1S/C16H25N3O2S/c1-3-21-16(20)19-8-6-13(7-9-19)18-14(12-4-5-12)15-17-10-11(2)22-15/h10,12-14,18H,3-9H2,1-2H3
InChIKeyUEOXPINBDUPVTO-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.11
Rot. Bonds5

About ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate

ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate (PubChem CID 84596951) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate
PubChem CID84596951
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Nameethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(c2ncc(C)s2)C2CC2)CC1
InChIInChI=1S/C16H25N3O2S/c1-3-21-16(20)19-8-6-13(7-9-19)18-14(12-4-5-12)15-17-10-11(2)22-15/h10,12-14,18H,3-9H2,1-2H3
InChIKeyUEOXPINBDUPVTO-UHFFFAOYSA-N
XLogP3.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 111508025
N-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111508030
N-[2-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]-2-oxoethyl]-N-ethylprop-2-enamide
CID 166407599
ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 125445579
1-(azepan-1-yl)-3-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]butan-1-one
CID 75383315
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
3-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 95967844
N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
CID 129359240
ethyl 4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 48590358
ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 97056254
(2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 96565673
tert-butyl 4-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 71969701

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate (CID 84596951) is ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(c2ncc(C)s2)C2CC2)CC1.
What is the InChIKey of ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate?
The InChIKey is UEOXPINBDUPVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-3-21-16(20)19-8-6-13(7-9-19)18-14(12-4-5-12)15-17-10-11(2)22-15/h10,12-14,18H,3-9H2,1-2H3.
What are the key properties of ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate?
ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate has a molecular weight of 323.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 84596951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).