N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide

C20H30N2O3 — CID 3645638

IUPACN-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1cc(CN2CCC(C(=O)NC3CCCC3)CC2)ccc1O
InChIInChI=1S/C20H30N2O3/c1-2-25-19-13-15(7-8-18(19)23)14-22-11-9-16(10-12-22)20(24)21-17-5-3-4-6-17/h7-8,13,16-17,23H,2-6,9-12,14H2,1H3,(H,21,24)
InChIKeySOGFBQVUFMLVDJ-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.06
Rot. Bonds6

About N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide

N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 3645638) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID3645638
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1cc(CN2CCC(C(=O)NC3CCCC3)CC2)ccc1O
InChIInChI=1S/C20H30N2O3/c1-2-25-19-13-15(7-8-18(19)23)14-22-11-9-16(10-12-22)20(24)21-17-5-3-4-6-17/h7-8,13,16-17,23H,2-6,9-12,14H2,1H3,(H,21,24)
InChIKeySOGFBQVUFMLVDJ-UHFFFAOYSA-N
XLogP3.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 17388879
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 28701059
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
CID 167387723
[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;oxalic acid
CID 126467826
2-ethoxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 783162
2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 3589734
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate
CID 40633764
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide (CID 3645638) is N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide is CCOc1cc(CN2CCC(C(=O)NC3CCCC3)CC2)ccc1O.
What is the InChIKey of N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is SOGFBQVUFMLVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-25-19-13-15(7-8-18(19)23)14-22-11-9-16(10-12-22)20(24)21-17-5-3-4-6-17/h7-8,13,16-17,23H,2-6,9-12,14H2,1H3,(H,21,24).
What are the key properties of N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide?
N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3645638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).