3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one

C13H24N2O3 — CID 106305737

IUPAC3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one
SMILESO=C1C(NC2CC2)CCCN1CCCOCCO
InChIInChI=1S/C13H24N2O3/c16-8-10-18-9-2-7-15-6-1-3-12(13(15)17)14-11-4-5-11/h11-12,14,16H,1-10H2
InChIKeyPVBADPHSMPKBEE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.13
Rot. Bonds8

About 3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one

3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one (PubChem CID 106305737) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one
PubChem CID106305737
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one
SMILESO=C1C(NC2CC2)CCCN1CCCOCCO
InChIInChI=1S/C13H24N2O3/c16-8-10-18-9-2-7-15-6-1-3-12(13(15)17)14-11-4-5-11/h11-12,14,16H,1-10H2
InChIKeyPVBADPHSMPKBEE-UHFFFAOYSA-N
XLogP0.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.13
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

N-cyclopropyl-3-[3-(cyclopropylamino)-2-oxopiperidin-1-yl]propanamide
CID 79400868
3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one
CID 114516757
3-(cyclopropylamino)-1-(4-hydroxypentyl)pyrrolidin-2-one
CID 106137685
1-[4-(2-methoxyethoxy)butyl]-3-(methylamino)piperidin-2-one
CID 113464183
2-[3-(2-hydroxyethoxy)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 114171092
N-[3-[3-(cyclopropylamino)-2-oxopyrrolidin-1-yl]propyl]methanesulfonamide
CID 106338480
3-(cyclopropylamino)-1-[(1-methylcyclobutyl)methyl]piperidin-2-one
CID 114109373
3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one
CID 107159445
3-(cyclopropylamino)-1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidin-2-one
CID 106149590
3-(ethylamino)-1-(3-propoxypropyl)pyrrolidin-2-one
CID 82943080
3-(cyclopropylamino)-1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 65035410
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
CID 79238476

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one (CID 106305737) is 3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one is O=C1C(NC2CC2)CCCN1CCCOCCO.
What is the InChIKey of 3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one?
The InChIKey is PVBADPHSMPKBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c16-8-10-18-9-2-7-15-6-1-3-12(13(15)17)14-11-4-5-11/h11-12,14,16H,1-10H2.
What are the key properties of 3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one?
3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one has a molecular weight of 256.35 g/mol, XLogP of 0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[3-(2-hydroxyethoxy)propyl]piperidin-2-one is sourced from PubChem (CID 106305737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).