N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide

C18H26N2O3 — CID 138052960

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide
SMILESC=C1CCN(C(=O)NCc2ccc(OC(C)C)c(OC)c2)CC1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-16-6-5-15(11-17(16)22-4)12-19-18(21)20-9-7-14(3)8-10-20/h5-6,11,13H,3,7-10,12H2,1-2,4H3,(H,19,21)
InChIKeyUGDZFRLTDVHXEY-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.34
Rot. Bonds5

About N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide (PubChem CID 138052960) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide
PubChem CID138052960
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide
SMILESC=C1CCN(C(=O)NCc2ccc(OC(C)C)c(OC)c2)CC1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-16-6-5-15(11-17(16)22-4)12-19-18(21)20-9-7-14(3)8-10-20/h5-6,11,13H,3,7-10,12H2,1-2,4H3,(H,19,21)
InChIKeyUGDZFRLTDVHXEY-UHFFFAOYSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide
CID 51124414
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 46486397
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47002026
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 38202199
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
CID 95329456

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide (CID 138052960) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide is C=C1CCN(C(=O)NCc2ccc(OC(C)C)c(OC)c2)CC1.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide?
The InChIKey is UGDZFRLTDVHXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)23-16-6-5-15(11-17(16)22-4)12-19-18(21)20-9-7-14(3)8-10-20/h5-6,11,13H,3,7-10,12H2,1-2,4H3,(H,19,21).
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide is sourced from PubChem (CID 138052960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).