tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate

C22H35N3O3 — CID 46560459

IUPACtert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCN(c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(C)C
InChIInChI=1S/C22H35N3O3/c1-7-25(16(2)3)19-10-8-18(9-11-19)23-20(26)17-12-14-24(15-13-17)21(27)28-22(4,5)6/h8-11,16-17H,7,12-15H2,1-6H3,(H,23,26)
InChIKeyWJUJWRWPZZCMAN-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.51
Rot. Bonds5

About tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 46560459) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID46560459
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Nametert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCN(c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(C)C
InChIInChI=1S/C22H35N3O3/c1-7-25(16(2)3)19-10-8-18(9-11-19)23-20(26)17-12-14-24(15-13-17)21(27)28-22(4,5)6/h8-11,16-17H,7,12-15H2,1-6H3,(H,23,26)
InChIKeyWJUJWRWPZZCMAN-UHFFFAOYSA-N
XLogP4.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 158081768
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26894064
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 74659700
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26894111
tert-butyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 36570789
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
N-[4-[ethyl(propan-2-yl)amino]phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43010945
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
tert-butyl 4-[[4-(diethylaminomethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 40707660
tert-butyl 4-[3-[3-[(4-ethoxycarbonylphenyl)carbamoyl]piperidin-1-yl]-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 70094699
tert-butyl 4-[(E)-3-[(3R)-3-[(4-ethoxycarbonylphenyl)carbamoyl]piperidin-1-yl]-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 70094693
tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55960977

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate (CID 46560459) is tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate is CCN(c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(C)C.
What is the InChIKey of tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is WJUJWRWPZZCMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-7-25(16(2)3)19-10-8-18(9-11-19)23-20(26)17-12-14-24(15-13-17)21(27)28-22(4,5)6/h8-11,16-17H,7,12-15H2,1-6H3,(H,23,26).
What are the key properties of tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 389.54 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 46560459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).