(2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate

C17H27N3O3 — CID 175124712

IUPAC(2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
SMILESCOc1ccc(OC(=O)N([C@H]2CCCNC2)C(C)(C)C)c(N)c1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)20(12-6-5-9-19-11-12)16(21)23-15-8-7-13(22-4)10-14(15)18/h7-8,10,12,19H,5-6,9,11,18H2,1-4H3/t12-/m0/s1
InChIKeyOQUHBCFRVINUFG-LBPRGKRZSA-N
MW321.42 g/mol
LogP2.63
Rot. Bonds3

About (2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate

(2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate (PubChem CID 175124712) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
PubChem CID175124712
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
SMILESCOc1ccc(OC(=O)N([C@H]2CCCNC2)C(C)(C)C)c(N)c1
InChIInChI=1S/C17H27N3O3/c1-17(2,3)20(12-6-5-9-19-11-12)16(21)23-15-8-7-13(22-4)10-14(15)18/h7-8,10,12,19H,5-6,9,11,18H2,1-4H3/t12-/m0/s1
InChIKeyOQUHBCFRVINUFG-LBPRGKRZSA-N
XLogP2.63
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-2-nitrophenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175119074
ethyl N-tert-butyl-N-[(3R)-piperidin-3-yl]carbamate
CID 140758794
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
(3-nitro-4-pyridinyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate
CID 175123042
[4-(4-fluorophenyl)-2-hydroxycyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
CID 175137543
1-(4-methoxy-2-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 116611214
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
3,5-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807213
1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
CID 116564241
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
2-bromo-5-methoxy-N-piperidin-3-yl-N-propylbenzamide
CID 63638310
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate?
The IUPAC name of (2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate (CID 175124712) is (2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate.
What is the SMILES notation for (2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate?
The canonical SMILES for (2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate is COc1ccc(OC(=O)N([C@H]2CCCNC2)C(C)(C)C)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate?
The InChIKey is OQUHBCFRVINUFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-17(2,3)20(12-6-5-9-19-11-12)16(21)23-15-8-7-13(22-4)10-14(15)18/h7-8,10,12,19H,5-6,9,11,18H2,1-4H3/t12-/m0/s1.
What are the key properties of (2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate?
(2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl) N-tert-butyl-N-[(3S)-piperidin-3-yl]carbamate is sourced from PubChem (CID 175124712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).