methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate

C17H24N2O4 — CID 171933184

IUPACmethyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(OC(C)C)c(N)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-11(2)23-15-5-4-13(10-14(15)18)16(20)19-8-6-12(7-9-19)17(21)22-3/h4-5,10-12H,6-9,18H2,1-3H3
InChIKeyDORUQYGZDHSKQE-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.08
Rot. Bonds4

About methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate

methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate (PubChem CID 171933184) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
PubChem CID171933184
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namemethyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc(OC(C)C)c(N)c2)CC1
InChIInChI=1S/C17H24N2O4/c1-11(2)23-15-5-4-13(10-14(15)18)16(20)19-8-6-12(7-9-19)17(21)22-3/h4-5,10-12H,6-9,18H2,1-3H3
InChIKeyDORUQYGZDHSKQE-UHFFFAOYSA-N
XLogP2.08
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064
methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768
ethyl 1-(3-methyl-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate
CID 110762331
(3-amino-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82152488
methyl 1-(3-amino-5-fluoro-4-methylbenzoyl)piperidine-4-carboxylate
CID 61118032
tert-butyl N-[(3S)-1-(3-amino-4-propan-2-yloxybenzoyl)piperidin-3-yl]carbamate
CID 171933176
methyl 1-(4-bromo-3-chlorobenzoyl)piperidine-4-carboxylate
CID 80952645
methyl 1-(5-amino-2,4-dimethylbenzoyl)piperidine-4-carboxylate
CID 102705142
(4-amino-3-methylphenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103821216
methyl 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
CID 103762652
methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
CID 108731428
tert-butyl 4-(3-amino-4-propan-2-yloxybenzoyl)-2-methylpiperazine-1-carboxylate
CID 171933189

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate (CID 171933184) is methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc(OC(C)C)c(N)c2)CC1.
What is the InChIKey of methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate?
The InChIKey is DORUQYGZDHSKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11(2)23-15-5-4-13(10-14(15)18)16(20)19-8-6-12(7-9-19)17(21)22-3/h4-5,10-12H,6-9,18H2,1-3H3.
What are the key properties of methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate?
methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-amino-4-propan-2-yloxybenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 171933184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).