N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide

C17H26N4O2 — CID 75461449

IUPACN-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(Cc2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-13(17(23)18-15-3-4-15)21-9-7-20(8-10-21)12-14-5-6-19(2)16(22)11-14/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3,(H,18,23)
InChIKeyQCWRZUVNPPXJQJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.17
Rot. Bonds5

About N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide (PubChem CID 75461449) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide
PubChem CID75461449
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)NC1CC1)N1CCN(Cc2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C17H26N4O2/c1-13(17(23)18-15-3-4-15)21-9-7-20(8-10-21)12-14-5-6-19(2)16(22)11-14/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3,(H,18,23)
InChIKeyQCWRZUVNPPXJQJ-UHFFFAOYSA-N
XLogP0.17
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide (CID 75461449) is N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide is CC(C(=O)NC1CC1)N1CCN(Cc2ccn(C)c(=O)c2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is QCWRZUVNPPXJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-13(17(23)18-15-3-4-15)21-9-7-20(8-10-21)12-14-5-6-19(2)16(22)11-14/h5-6,11,13,15H,3-4,7-10,12H2,1-2H3,(H,18,23).
What are the key properties of N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 75461449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).