N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide

C18H27N5O2 — CID 119846038

IUPACN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C1CCNCC1
InChIInChI=1S/C18H27N5O2/c1-13(14-4-6-19-7-5-14)10-17(24)22-15-2-3-16(21-11-15)23-9-8-20-18(25)12-23/h2-3,11,13-14,19H,4-10,12H2,1H3,(H,20,25)(H,22,24)
InChIKeyLSYBLSOTGQBAGV-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.98
Rot. Bonds5

About N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide

N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide (PubChem CID 119846038) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide
PubChem CID119846038
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C1CCNCC1
InChIInChI=1S/C18H27N5O2/c1-13(14-4-6-19-7-5-14)10-17(24)22-15-2-3-16(21-11-15)23-9-8-20-18(25)12-23/h2-3,11,13-14,19H,4-10,12H2,1H3,(H,20,25)(H,22,24)
InChIKeyLSYBLSOTGQBAGV-UHFFFAOYSA-N
XLogP0.98
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
CID 119846046
2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38940674
2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939794
3-cyclopentylsulfonyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
CID 56795798
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34599898
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
CID 38940722
N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide
CID 119893892
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119893842

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide (CID 119846038) is N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1)C1CCNCC1.
What is the InChIKey of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide?
The InChIKey is LSYBLSOTGQBAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13(14-4-6-19-7-5-14)10-17(24)22-15-2-3-16(21-11-15)23-9-8-20-18(25)12-23/h2-3,11,13-14,19H,4-10,12H2,1H3,(H,20,25)(H,22,24).
What are the key properties of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide?
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide has a molecular weight of 345.45 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119846038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).