methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate

C17H25N3O3 — CID 9075342

IUPACmethyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(/C)c1ccc(OC)c(CN2CCCCC2)c1
InChIInChI=1S/C17H25N3O3/c1-13(18-19-17(21)23-3)14-7-8-16(22-2)15(11-14)12-20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,21)/b18-13-
InChIKeyFBZBVIOPJAJOMU-AQTBWJFISA-N
MW319.41 g/mol
LogP2.76
Rot. Bonds5

About methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate

methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate (PubChem CID 9075342) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate
PubChem CID9075342
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Namemethyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(/C)c1ccc(OC)c(CN2CCCCC2)c1
InChIInChI=1S/C17H25N3O3/c1-13(18-19-17(21)23-3)14-7-8-16(22-2)15(11-14)12-20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,21)/b18-13-
InChIKeyFBZBVIOPJAJOMU-AQTBWJFISA-N
XLogP2.76
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide
CID 9352623
2,3,4,5,6-pentafluoro-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]aniline
CID 9466416
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029761
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176977
(3S)-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9237657
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117444225
1-[(4-methoxyphenyl)methyl]-3-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]thiourea
CID 9176269
diethyl-[[2-methoxy-5-[(Z)-N-(methoxycarbonylamino)-C-methylcarbonimidoyl]phenyl]methyl]azanium
CID 9075338
3-chloro-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]aniline
CID 9076601
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9217433
[1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino] 4-nitrobenzoate
CID 2803621
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate (CID 9075342) is methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate is COC(=O)N/N=C(/C)c1ccc(OC)c(CN2CCCCC2)c1.
What is the InChIKey of methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate?
The InChIKey is FBZBVIOPJAJOMU-AQTBWJFISA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(18-19-17(21)23-3)14-7-8-16(22-2)15(11-14)12-20-9-5-4-6-10-20/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,19,21)/b18-13-.
What are the key properties of methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate?
methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate has a molecular weight of 319.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate is sourced from PubChem (CID 9075342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).