N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide

C14H27N3O2 — CID 81044804

IUPACN-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
SMILESCCCNC(=O)CNC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C14H27N3O2/c1-3-6-16-14(19)10-17-13(18)8-11(2)12-5-4-7-15-9-12/h11-12,15H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyXHNLFFILOWPNQL-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.65
Rot. Bonds7

About N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide

N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 81044804) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID81044804
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
SMILESCCCNC(=O)CNC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C14H27N3O2/c1-3-6-16-14(19)10-17-13(18)8-11(2)12-5-4-7-15-9-12/h11-12,15H,3-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyXHNLFFILOWPNQL-UHFFFAOYSA-N
XLogP0.65
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
CID 115738676
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723723
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828131
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride
CID 119741250

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide (CID 81044804) is N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide is CCCNC(=O)CNC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is XHNLFFILOWPNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-6-16-14(19)10-17-13(18)8-11(2)12-5-4-7-15-9-12/h11-12,15H,3-10H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide?
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 269.39 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81044804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).