butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate

C16H30N2O4 — CID 10710390

IUPACbutyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate
SMILESCCCCOC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O4/c1-5-6-11-21-14(19)12-18-9-7-13(8-10-18)17-15(20)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,20)
InChIKeyRDVRRCZTOQFLAW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.32
Rot. Bonds6

About butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate

butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate (PubChem CID 10710390) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate.

Molecular Properties

Compound Namebutyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate
PubChem CID10710390
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Namebutyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate
SMILESCCCCOC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O4/c1-5-6-11-21-14(19)12-18-9-7-13(8-10-18)17-15(20)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,20)
InChIKeyRDVRRCZTOQFLAW-UHFFFAOYSA-N
XLogP2.32
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(Boc-amino)-piperidin-1-yl]-acetic acid ethyl ester
CID 23565283
2-(4-{[(Tert-butoxy)carbonyl]amino}piperidin-1-yl)acetic acid
CID 18670180
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
Tert-butyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 45791700
Tert-butyl 2-(((tert-butoxy)carbonyl)((piperidin-3-yl)methyl)amino)acetate
CID 86811560
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-morpholin-4-ylbutanoic acid
CID 57773776
tert-butyl (3S,4R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate
CID 153362080
[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156835576
[(2R)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] (2S)-2-(hexylamino)propanoate
CID 167319466
Tert-butyl 4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate
CID 175473735
tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate
CID 175473736
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 60343119

Frequently Asked Questions

What is the IUPAC name of butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate?
The IUPAC name of butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate (CID 10710390) is butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate.
What is the SMILES notation for butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate?
The canonical SMILES for butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate is CCCCOC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate?
The InChIKey is RDVRRCZTOQFLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-5-6-11-21-14(19)12-18-9-7-13(8-10-18)17-15(20)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,20).
What are the key properties of butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate?
butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate has a molecular weight of 314.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate is sourced from PubChem (CID 10710390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).