N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide

C15H31N3O — CID 66271946

IUPACN-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide
SMILESCCCCNC(=O)C(C)N(C)CCC1CCNCC1
InChIInChI=1S/C15H31N3O/c1-4-5-9-17-15(19)13(2)18(3)12-8-14-6-10-16-11-7-14/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyXWKPXDQUXPMLBZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds8

About N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide

N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide (PubChem CID 66271946) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide
PubChem CID66271946
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide
SMILESCCCCNC(=O)C(C)N(C)CCC1CCNCC1
InChIInChI=1S/C15H31N3O/c1-4-5-9-17-15(19)13(2)18(3)12-8-14-6-10-16-11-7-14/h13-14,16H,4-12H2,1-3H3,(H,17,19)
InChIKeyXWKPXDQUXPMLBZ-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63266204
2-[methyl(2-piperidin-4-ylethyl)amino]-N-phenylpropanamide
CID 66273436
2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide
CID 106636555
ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen
CID 176985779
N-ethyl-2-[methyl(piperidin-4-yl)amino]propanamide
CID 43607766
N-ethyl-3-[methyl(2-piperidin-4-ylethyl)amino]propanamide
CID 66272797
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941
methyl(2-piperidin-4-ylethyl)carbamic acid
CID 69061019
2-pyrrolidin-3-ylethyl N-butylcarbamate
CID 114796626
N-ethyl-2-(3-piperidin-4-ylpropanoylamino)propanamide
CID 55049239
N-butyl-N-methyl-2-piperidin-4-ylacetamide
CID 24710322
N-butan-2-yl-N-butyl-2-piperidin-4-ylacetamide
CID 61028847

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide?
The IUPAC name of N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide (CID 66271946) is N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide.
What is the SMILES notation for N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide?
The canonical SMILES for N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide is CCCCNC(=O)C(C)N(C)CCC1CCNCC1.
What is the InChIKey of N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide?
The InChIKey is XWKPXDQUXPMLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-5-9-17-15(19)13(2)18(3)12-8-14-6-10-16-11-7-14/h13-14,16H,4-12H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide?
N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[methyl(2-piperidin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 66271946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).