tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate

C21H42N4O4 — CID 151865533

IUPACtert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CCN1CCCCC1
InChIInChI=1S/C21H42N4O4/c1-20(2,3)28-18(26)22-10-14-25(17-16-24-12-8-7-9-13-24)15-11-23-19(27)29-21(4,5)6/h7-17H2,1-6H3,(H,22,26)(H,23,27)
InChIKeySLPGVBORCVNTAH-UHFFFAOYSA-N
MW414.59 g/mol
LogP2.82
Rot. Bonds9

About tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate

tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate (PubChem CID 151865533) has the molecular formula C21H42N4O4 and a molecular weight of 414.59 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate
PubChem CID151865533
Molecular FormulaC21H42N4O4
Molecular Weight414.59 g/mol
Exact Mass414.32
IUPAC Nametert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CCN1CCCCC1
InChIInChI=1S/C21H42N4O4/c1-20(2,3)28-18(26)22-10-14-25(17-16-24-12-8-7-9-13-24)15-11-23-19(27)29-21(4,5)6/h7-17H2,1-6H3,(H,22,26)(H,23,27)
InChIKeySLPGVBORCVNTAH-UHFFFAOYSA-N
XLogP2.82
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-(2-pyrrolidin-1-ylethylamino)ethyl]carbamate
CID 19420462
tert-butyl N-[3-[methyl(2-pyrrolidin-1-ylethyl)sulfamoyl]propyl]carbamate
CID 136573574
2-[2-(butylcarbamoyloxy)ethyl-(2-piperidin-1-ylethyl)amino]ethyl N-butylcarbamate;dihydrochloride
CID 67933469
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
tert-butyl N-[3-[[N'-methyl-N-(3-pyrrolidin-1-ylpropyl)carbamimidoyl]amino]propyl]carbamate
CID 111886797
tert-butyl N-[2-(azepane-1-carbonylamino)ethyl]carbamate
CID 108864437
2-[9-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
CID 170976425
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
tert-butyl N-[2-(diheptylamino)ethyl]carbamate
CID 86645270
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
CID 90457179
tert-butyl N-[(2S)-3-cyclohexyl-1-oxo-1-(2-piperidin-1-ylethylamino)propan-2-yl]carbamate
CID 67038034

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate (CID 151865533) is tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)CCN1CCCCC1.
What is the InChIKey of tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate?
The InChIKey is SLPGVBORCVNTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O4/c1-20(2,3)28-18(26)22-10-14-25(17-16-24-12-8-7-9-13-24)15-11-23-19(27)29-21(4,5)6/h7-17H2,1-6H3,(H,22,26)(H,23,27).
What are the key properties of tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate?
tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate has a molecular weight of 414.59 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate is sourced from PubChem (CID 151865533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).