N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate

C16H22N3O3- — CID 57366155

IUPACN-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate
SMILESCC(C)(C)N(C(=O)[O-])c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)19(15(21)22)13-6-4-12(5-7-13)14(20)18-10-8-17-9-11-18/h4-7,17H,8-11H2,1-3H3,(H,21,22)/p-1
InChIKeyXAKFURJDDJBBNZ-UHFFFAOYSA-M
MW304.37 g/mol
LogP0.68
Rot. Bonds2

About N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate

N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate (PubChem CID 57366155) has the molecular formula C16H22N3O3- and a molecular weight of 304.37 g/mol. Its IUPAC name is N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate.

Molecular Properties

Compound NameN-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate
PubChem CID57366155
Molecular FormulaC16H22N3O3-
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC NameN-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate
SMILESCC(C)(C)N(C(=O)[O-])c1ccc(C(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)19(15(21)22)13-6-4-12(5-7-13)14(20)18-10-8-17-9-11-18/h4-7,17H,8-11H2,1-3H3,(H,21,22)/p-1
InChIKeyXAKFURJDDJBBNZ-UHFFFAOYSA-M
XLogP0.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
(4-methylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403609
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
(3,5-ditert-butyl-4-hydroxyphenyl)-piperazin-1-ylmethanone
CID 14300314
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
N-cyclohexyl-N-methyl-4-(piperazine-1-carbonyl)benzenesulfonamide
CID 119402234
[6-(2,2-dimethylpropyl)-3-pyridinyl]-piperazin-1-ylmethanone
CID 58674992
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
(3-chloro-4-iodophenyl)-piperazin-1-ylmethanone
CID 103804969
N-[4-(piperazine-1-carbonyl)phenyl]propanamide
CID 53215907

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate?
The IUPAC name of N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate (CID 57366155) is N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate.
What is the SMILES notation for N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate?
The canonical SMILES for N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate is CC(C)(C)N(C(=O)[O-])c1ccc(C(=O)N2CCNCC2)cc1.
What is the InChIKey of N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate?
The InChIKey is XAKFURJDDJBBNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)19(15(21)22)13-6-4-12(5-7-13)14(20)18-10-8-17-9-11-18/h4-7,17H,8-11H2,1-3H3,(H,21,22)/p-1.
What are the key properties of N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate?
N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate has a molecular weight of 304.37 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[4-(piperazine-1-carbonyl)phenyl]carbamate is sourced from PubChem (CID 57366155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).