N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide

C19H30N2O3S — CID 122556169

IUPACN-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCCCOC1CCCC1)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C19H30N2O3S/c22-18(17-7-3-14-25-17)15-8-11-21(12-9-15)19(23)20-10-4-13-24-16-5-1-2-6-16/h3,7,14-16,18,22H,1-2,4-6,8-13H2,(H,20,23)
InChIKeyLLZQLALMIHRCSD-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.55
Rot. Bonds7

About N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide

N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 122556169) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide
PubChem CID122556169
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCCCOC1CCCC1)N1CCC(C(O)c2cccs2)CC1
InChIInChI=1S/C19H30N2O3S/c22-18(17-7-3-14-25-17)15-8-11-21(12-9-15)19(23)20-10-4-13-24-16-5-1-2-6-16/h3,7,14-16,18,22H,1-2,4-6,8-13H2,(H,20,23)
InChIKeyLLZQLALMIHRCSD-UHFFFAOYSA-N
XLogP3.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[hydroxy(thiophen-2-yl)methyl]-N-[2-(methylsulfamoyl)ethyl]piperidine-1-carboxamide
CID 122565497
1-(3-cyclohexyloxypropyl)-3-[phenyl(thiophen-2-yl)methyl]urea
CID 43066076
4-[hydroxy(thiophen-2-yl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 122563909
N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 86999291
2-(2-cyclohexyloxyethylamino)-1-thiophen-2-ylethanol
CID 63827685
N-(3-cyclohexyloxypropyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 55473682
cyclopentyl(thiophen-2-yl)methanol
CID 43753540
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
4-benzyl-N-(3-cyclohexyloxypropyl)-1,4-diazepane-1-carboxamide
CID 55473586
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 71786930
N-[1-(3-cyclohexyloxypropylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46613206
1-acetyl-N-(3-cyclohexyloxypropyl)-4-phenylpiperidine-4-carboxamide
CID 39950504

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide (CID 122556169) is N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide is O=C(NCCCOC1CCCC1)N1CCC(C(O)c2cccs2)CC1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is LLZQLALMIHRCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c22-18(17-7-3-14-25-17)15-8-11-21(12-9-15)19(23)20-10-4-13-24-16-5-1-2-6-16/h3,7,14-16,18,22H,1-2,4-6,8-13H2,(H,20,23).
What are the key properties of N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide?
N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-4-[hydroxy(thiophen-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 122556169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).