N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C18H32N2O2 — CID 111433877

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCCCN2CCC(O)CC2)C1(C)C
InChIInChI=1S/C18H32N2O2/c1-13(2)12-15-16(18(15,3)4)17(22)19-8-5-9-20-10-6-14(21)7-11-20/h12,14-16,21H,5-11H2,1-4H3,(H,19,22)
InChIKeyLIMNSFAGZBHKIP-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.19
Rot. Bonds6

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 111433877) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID111433877
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)NCCCN2CCC(O)CC2)C1(C)C
InChIInChI=1S/C18H32N2O2/c1-13(2)12-15-16(18(15,3)4)17(22)19-8-5-9-20-10-6-14(21)7-11-20/h12,14-16,21H,5-11H2,1-4H3,(H,19,22)
InChIKeyLIMNSFAGZBHKIP-UHFFFAOYSA-N
XLogP2.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47014967
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 94657626
trans-(1R,3S)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 95976493
trans-(1S,3S)-2,2-dimethyl-3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859644
cis-(1S,3R)-2,2-dimethyl-3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859643
formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide
CID 154910365
2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 60566304
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851085
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methylpentanamide
CID 111434025
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 102556748
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-piperidin-1-ylsulfonylcyclopropane-1-carboxamide
CID 56798491

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 111433877) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)NCCCN2CCC(O)CC2)C1(C)C.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is LIMNSFAGZBHKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-13(2)12-15-16(18(15,3)4)17(22)19-8-5-9-20-10-6-14(21)7-11-20/h12,14-16,21H,5-11H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 111433877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).