tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate

C16H30N4O2 — CID 145463354

IUPACtert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate
SMILESC=CN(N=C)C1CCN(CCN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O2/c1-7-20(17-5)14-8-10-19(11-9-14)13-12-18(6)15(21)22-16(2,3)4/h7,14H,1,5,8-13H2,2-4,6H3
InChIKeyKRDQWVPCRLDVHV-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.38
Rot. Bonds6

About tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate (PubChem CID 145463354) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate
PubChem CID145463354
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nametert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate
SMILESC=CN(N=C)C1CCN(CCN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O2/c1-7-20(17-5)14-8-10-19(11-9-14)13-12-18(6)15(21)22-16(2,3)4/h7,14H,1,5,8-13H2,2-4,6H3
InChIKeyKRDQWVPCRLDVHV-UHFFFAOYSA-N
XLogP2.38
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[4-(4-aminophenyl)piperidin-1-yl]ethyl]-N-methylcarbamate
CID 59843161
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-N-methylcarbamate
CID 146498260
tert-butyl N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 176742069
fluoro 1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 145463308
tert-butyl N-[1-(5-aminopentyl)piperidin-4-yl]-N-methylcarbamate
CID 165368889
ethyl 1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 59843232
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
tert-butyl N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]carbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;1-butyl-4-methylpiperazine;1-methylpiperazine
CID 158090001
tert-butyl N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate
CID 103781266
tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566034
tert-butyl N-[3-[4-(2-methoxyacetyl)piperazin-1-yl]propyl]-N-methylcarbamate
CID 100654184

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate (CID 145463354) is tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate is C=CN(N=C)C1CCN(CCN(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate?
The InChIKey is KRDQWVPCRLDVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-7-20(17-5)14-8-10-19(11-9-14)13-12-18(6)15(21)22-16(2,3)4/h7,14H,1,5,8-13H2,2-4,6H3.
What are the key properties of tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate has a molecular weight of 310.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[ethenyl-(methylideneamino)amino]piperidin-1-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 145463354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).