2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide

C15H31N3O — CID 63596247

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N1CCC(C(C)N)CC1
InChIInChI=1S/C15H31N3O/c1-4-5-6-9-17-15(19)13(3)18-10-7-14(8-11-18)12(2)16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyDLPCRCFPFZAKJC-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds7

About 2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide

2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide (PubChem CID 63596247) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide
PubChem CID63596247
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)N1CCC(C(C)N)CC1
InChIInChI=1S/C15H31N3O/c1-4-5-6-9-17-15(19)13(3)18-10-7-14(8-11-18)12(2)16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyDLPCRCFPFZAKJC-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 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 ≤ 51.74
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-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 112630167
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854643
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718676
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
CID 115647932
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 63124499
N-butyl-2-(4-oxopiperidin-1-yl)propanamide
CID 43112432
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide
CID 103728903
N-ethyl-2-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63854665

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide (CID 63596247) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide is CCCCCNC(=O)C(C)N1CCC(C(C)N)CC1.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide?
The InChIKey is DLPCRCFPFZAKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-5-6-9-17-15(19)13(3)18-10-7-14(8-11-18)12(2)16/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-pentylpropanamide is sourced from PubChem (CID 63596247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).