2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide

C19H30N2O2 — CID 100690251

IUPAC2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)18(22)20-16-8-10-17(11-9-16)23-15-7-14-21-12-5-4-6-13-21/h8-11H,4-7,12-15H2,1-3H3,(H,20,22)
InChIKeyUQDDNQWTABNOBW-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.93
Rot. Bonds6

About 2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide

2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide (PubChem CID 100690251) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
PubChem CID100690251
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)18(22)20-16-8-10-17(11-9-16)23-15-7-14-21-12-5-4-6-13-21/h8-11H,4-7,12-15H2,1-3H3,(H,20,22)
InChIKeyUQDDNQWTABNOBW-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2-methylpropanamide
CID 100692930
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]butanamide
CID 133246297
(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide
CID 100737524
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133245923
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanamide
CID 133246685
(2S)-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propoxyhexanamide
CID 100741866
(2S)-2-methoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100701949
2-ethoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pentanamide
CID 133246624
(2S)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100743201
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2,2,2-trichloroacetamide
CID 100689409
(2R)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701698
(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide (CID 100690251) is 2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide?
The InChIKey is UQDDNQWTABNOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)18(22)20-16-8-10-17(11-9-16)23-15-7-14-21-12-5-4-6-13-21/h8-11H,4-7,12-15H2,1-3H3,(H,20,22).
What are the key properties of 2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide?
2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide has a molecular weight of 318.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide is sourced from PubChem (CID 100690251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).