2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid

C13H24N2O3 — CID 79609150

IUPAC2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid
SMILESCCCNC(=O)C(C)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-6-14-13(18)10(2)15-7-4-11(5-8-15)9-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPOAYFMJMIQNXBF-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds6

About 2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid

2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid (PubChem CID 79609150) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid
PubChem CID79609150
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid
SMILESCCCNC(=O)C(C)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-6-14-13(18)10(2)15-7-4-11(5-8-15)9-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyPOAYFMJMIQNXBF-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide;hydrochloride
CID 119928199
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-propylpropanamide
CID 63847727
2-[4-(propylaminomethyl)piperidin-1-yl]-N-prop-2-ynylpropanamide
CID 63849612
2-[1-(propylcarbamoyl)piperidin-4-yl]acetic acid
CID 29080141
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 114802599
(2S)-2-piperidin-1-yl-N-propylpropanamide
CID 95274593
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-propylpropanamide
CID 112630167
2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615592
N-ethyl-2-[4-[1-(propylamino)ethyl]piperidin-1-yl]propanamide
CID 63854665
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63249433

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid (CID 79609150) is 2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid is CCCNC(=O)C(C)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid?
The InChIKey is POAYFMJMIQNXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-6-14-13(18)10(2)15-7-4-11(5-8-15)9-12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid?
2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-oxo-1-(propylamino)propan-2-yl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79609150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).