N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide

C19H35N3O2 — CID 128867850

IUPACN-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide
SMILESO=C(NC1CCN(C2CCCC2)CC1)N1CCCC(CCO)CC1
InChIInChI=1S/C19H35N3O2/c23-15-10-16-4-3-11-22(12-7-16)19(24)20-17-8-13-21(14-9-17)18-5-1-2-6-18/h16-18,23H,1-15H2,(H,20,24)
InChIKeyBBUOGLFZMNRINA-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.59
Rot. Bonds4

About N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide

N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide (PubChem CID 128867850) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide
PubChem CID128867850
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC NameN-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide
SMILESO=C(NC1CCN(C2CCCC2)CC1)N1CCCC(CCO)CC1
InChIInChI=1S/C19H35N3O2/c23-15-10-16-4-3-11-22(12-7-16)19(24)20-17-8-13-21(14-9-17)18-5-1-2-6-18/h16-18,23H,1-15H2,(H,20,24)
InChIKeyBBUOGLFZMNRINA-UHFFFAOYSA-N
XLogP2.59
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
N-cyclohexyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 49289387
4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)ethanol
CID 67836758
N-[(2R,3S)-2-ethenyloxan-3-yl]-4-(2-hydroxyethyl)azepane-1-carboxamide
CID 164636304
1-[4-(2-hydroxyethyl)azepan-1-yl]-2,2-dimethylpropan-1-one
CID 155951870
N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
CID 115629328
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 128692366

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide?
The IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide (CID 128867850) is N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide.
What is the SMILES notation for N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide?
The canonical SMILES for N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide is O=C(NC1CCN(C2CCCC2)CC1)N1CCCC(CCO)CC1.
What is the InChIKey of N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide?
The InChIKey is BBUOGLFZMNRINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c23-15-10-16-4-3-11-22(12-7-16)19(24)20-17-8-13-21(14-9-17)18-5-1-2-6-18/h16-18,23H,1-15H2,(H,20,24).
What are the key properties of N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide?
N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide is sourced from PubChem (CID 128867850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).