N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide

C15H31N3O — CID 63854643

IUPACN-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCC(C(C)NC)CC1
InChIInChI=1S/C15H31N3O/c1-5-6-9-17-15(19)13(3)18-10-7-14(8-11-18)12(2)16-4/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyBVVNGCDUNPLENR-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.61
Rot. Bonds7

About N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide

N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide (PubChem CID 63854643) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
PubChem CID63854643
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCC(C(C)NC)CC1
InChIInChI=1S/C15H31N3O/c1-5-6-9-17-15(19)13(3)18-10-7-14(8-11-18)12(2)16-4/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyBVVNGCDUNPLENR-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide
CID 63596247
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55256660
N-ethyl-2-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63854665
ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718676
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 55086301
N-butyl-2-(4-oxopiperidin-1-yl)propanamide
CID 43112432
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
CID 80553344
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The IUPAC name of N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide (CID 63854643) is N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide is CCCCNC(=O)C(C)N1CCC(C(C)NC)CC1.
What is the InChIKey of N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
The InChIKey is BVVNGCDUNPLENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-6-9-17-15(19)13(3)18-10-7-14(8-11-18)12(2)16-4/h12-14,16H,5-11H2,1-4H3,(H,17,19).
What are the key properties of N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide?
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 63854643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).