1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid

C19H26N2O4 — CID 110173499

IUPAC1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
SMILESCOc1ccc(/C=N/N2CCC(C(=O)O)CC2)cc1OC1CCCC1
InChIInChI=1S/C19H26N2O4/c1-24-17-7-6-14(12-18(17)25-16-4-2-3-5-16)13-20-21-10-8-15(9-11-21)19(22)23/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,22,23)/b20-13+
InChIKeyOTIYKUFTTYTPRB-DEDYPNTBSA-N
MW346.43 g/mol
LogP3.15
Rot. Bonds6

About 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid

1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid (PubChem CID 110173499) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
PubChem CID110173499
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid
SMILESCOc1ccc(/C=N/N2CCC(C(=O)O)CC2)cc1OC1CCCC1
InChIInChI=1S/C19H26N2O4/c1-24-17-7-6-14(12-18(17)25-16-4-2-3-5-16)13-20-21-10-8-15(9-11-21)19(22)23/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,22,23)/b20-13+
InChIKeyOTIYKUFTTYTPRB-DEDYPNTBSA-N
XLogP3.15
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
CID 54551418
2-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxyacetic acid
CID 44541745
ethyl N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]carbamate
CID 54480255
2-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]ethanethioamide
CID 58241283
2-cyclopentyloxy-1-methoxy-4-[(E)-2-nitrosoethenyl]benzene
CID 89146119
N-[(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]-2-(dimethylamino)acetamide
CID 163716487
(E)-3-(4-cyclopentyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 43147789
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 869996
(NZ)-N-[(E)-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 10106724
(E)-3-(4-cyclobutyloxy-3-methoxyphenyl)prop-2-enoic acid
CID 138464982
dimethyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)methylidene]butanedioate
CID 85045270
(3-cyclopentyloxy-4-methoxyphenyl)methylidenehydrazine;trimethyl(2-oxoethenyl)azanium;chloride
CID 173248162

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid (CID 110173499) is 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid is COc1ccc(/C=N/N2CCC(C(=O)O)CC2)cc1OC1CCCC1.
What is the InChIKey of 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid?
The InChIKey is OTIYKUFTTYTPRB-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-24-17-7-6-14(12-18(17)25-16-4-2-3-5-16)13-20-21-10-8-15(9-11-21)19(22)23/h6-7,12-13,15-16H,2-5,8-11H2,1H3,(H,22,23)/b20-13+.
What are the key properties of 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid?
1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]piperidine-4-carboxylic acid is sourced from PubChem (CID 110173499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).