N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide

C12H25N3O2 — CID 113104934

IUPACN-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)13-11(16)15-7-5-14(6-8-15)9-10-17-4/h5-10H2,1-4H3,(H,13,16)
InChIKeyUKEVMNBSWZHWKR-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.76
Rot. Bonds3

About N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide

N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 113104934) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID113104934
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-12(2,3)13-11(16)15-7-5-14(6-8-15)9-10-17-4/h5-10H2,1-4H3,(H,13,16)
InChIKeyUKEVMNBSWZHWKR-UHFFFAOYSA-N
XLogP0.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 43252387
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
2-iodo-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 155022940
N-[2,6-di(propan-2-yl)phenyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105012
4-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113104985
N-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
4-(2-hydroxyethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 108890532
2-amino-1-[4-(2-methoxyethyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119838581
N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104950
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
CID 163257255
3-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-3-oxopropanoic acid
CID 62229918

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide (CID 113104934) is N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide is COCCN1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is UKEVMNBSWZHWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,3)13-11(16)15-7-5-14(6-8-15)9-10-17-4/h5-10H2,1-4H3,(H,13,16).
What are the key properties of N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide?
N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).