tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate

C20H40N4O2 — CID 134505512

IUPACtert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
SMILESCCN1CCN(CC2(NC(=O)OC(C)(C)C)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H40N4O2/c1-7-22-12-14-23(15-13-22)16-20(21-18(25)26-19(4,5)6)8-10-24(11-9-20)17(2)3/h17H,7-16H2,1-6H3,(H,21,25)
InChIKeyUYFIMTQTMWWYPK-UHFFFAOYSA-N
MW368.57 g/mol
LogP2.39
Rot. Bonds5

About tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate

tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate (PubChem CID 134505512) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
PubChem CID134505512
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Nametert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
SMILESCCN1CCN(CC2(NC(=O)OC(C)(C)C)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C20H40N4O2/c1-7-22-12-14-23(15-13-22)16-20(21-18(25)26-19(4,5)6)8-10-24(11-9-20)17(2)3/h17H,7-16H2,1-6H3,(H,21,25)
InChIKeyUYFIMTQTMWWYPK-UHFFFAOYSA-N
XLogP2.39
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide
CID 134505539
tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate
CID 135177659
tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 134505524
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;cyclopropylmethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3,3-dimethyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]-2-methylpropanamide;methyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;2-methylpropyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 158598556
chloromethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpiperidine-4-carboxylate
CID 165440847
propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134505525
N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide
CID 134435220
1-butan-2-yl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
CID 107322464
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241
tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate
CID 134515075
1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea
CID 134434518
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate (CID 134505512) is tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate is CCN1CCN(CC2(NC(=O)OC(C)(C)C)CCN(C(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate?
The InChIKey is UYFIMTQTMWWYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-7-22-12-14-23(15-13-22)16-20(21-18(25)26-19(4,5)6)8-10-24(11-9-20)17(2)3/h17H,7-16H2,1-6H3,(H,21,25).
What are the key properties of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate?
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate has a molecular weight of 368.57 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate is sourced from PubChem (CID 134505512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).