[3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate

C19H25NO4 — CID 71887940

IUPAC[3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate
SMILESO=C(c1cccc(COC(=O)C2(O)CCCC2)c1)N1CCCCC1
InChIInChI=1S/C19H25NO4/c21-17(20-11-4-1-5-12-20)16-8-6-7-15(13-16)14-24-18(22)19(23)9-2-3-10-19/h6-8,13,23H,1-5,9-12,14H2
InChIKeyWEGOYTKLYROIPB-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.66
Rot. Bonds4

About [3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate

[3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate (PubChem CID 71887940) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is [3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Name[3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate
PubChem CID71887940
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name[3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate
SMILESO=C(c1cccc(COC(=O)C2(O)CCCC2)c1)N1CCCCC1
InChIInChI=1S/C19H25NO4/c21-17(20-11-4-1-5-12-20)16-8-6-7-15(13-16)14-24-18(22)19(23)9-2-3-10-19/h6-8,13,23H,1-5,9-12,14H2
InChIKeyWEGOYTKLYROIPB-UHFFFAOYSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62936686
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
azepan-1-yl-[3-(methylsulfanylmethyl)phenyl]methanone
CID 60667458
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
[3-[(2-nitrophenoxy)methyl]phenyl]-piperidin-1-ylmethanone
CID 47061595
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
[3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone
CID 126764258

Frequently Asked Questions

What is the IUPAC name of [3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate?
The IUPAC name of [3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate (CID 71887940) is [3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for [3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for [3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate is O=C(c1cccc(COC(=O)C2(O)CCCC2)c1)N1CCCCC1.
What is the InChIKey of [3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate?
The InChIKey is WEGOYTKLYROIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c21-17(20-11-4-1-5-12-20)16-8-6-7-15(13-16)14-24-18(22)19(23)9-2-3-10-19/h6-8,13,23H,1-5,9-12,14H2.
What are the key properties of [3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate?
[3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate has a molecular weight of 331.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperidine-1-carbonyl)phenyl]methyl 1-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 71887940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).