N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide

C21H32N2O4 — CID 120630974

IUPACN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)CCNCC1
InChIInChI=1S/C21H32N2O4/c1-25-15-21(9-11-22-12-10-21)20(24)23-14-16-7-8-18(26-2)19(13-16)27-17-5-3-4-6-17/h7-8,13,17,22H,3-6,9-12,14-15H2,1-2H3,(H,23,24)
InChIKeyZFTVCYYNTCIYMQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.65
Rot. Bonds8

About N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120630974) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120630974
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)CCNCC1
InChIInChI=1S/C21H32N2O4/c1-25-15-21(9-11-22-12-10-21)20(24)23-14-16-7-8-18(26-2)19(13-16)27-17-5-3-4-6-17/h7-8,13,17,22H,3-6,9-12,14-15H2,1-2H3,(H,23,24)
InChIKeyZFTVCYYNTCIYMQ-UHFFFAOYSA-N
XLogP2.65
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 120618507
4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618412
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
4-cyclopentyloxy-3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887531
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938758
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219
N-(3-cyclopentyloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621286
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630988
3-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774714

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120630974) is N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCc2ccc(OC)c(OC3CCCC3)c2)CCNCC1.
What is the InChIKey of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is ZFTVCYYNTCIYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-25-15-21(9-11-22-12-10-21)20(24)23-14-16-7-8-18(26-2)19(13-16)27-17-5-3-4-6-17/h7-8,13,17,22H,3-6,9-12,14-15H2,1-2H3,(H,23,24).
What are the key properties of N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120630974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).