2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide

C13H24N4O2 — CID 95280745

IUPAC2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESCN1CCN(CC(=O)N[C@H]2CCCCNC2=O)CC1
InChIInChI=1S/C13H24N4O2/c1-16-6-8-17(9-7-16)10-12(18)15-11-4-2-3-5-14-13(11)19/h11H,2-10H2,1H3,(H,14,19)(H,15,18)/t11-/m0/s1
InChIKeyRZZFIBGBJNWGIZ-NSHDSACASA-N
MW268.36 g/mol
LogP-0.98
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide

2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide (PubChem CID 95280745) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
PubChem CID95280745
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESCN1CCN(CC(=O)N[C@H]2CCCCNC2=O)CC1
InChIInChI=1S/C13H24N4O2/c1-16-6-8-17(9-7-16)10-12(18)15-11-4-2-3-5-14-13(11)19/h11H,2-10H2,1H3,(H,14,19)(H,15,18)/t11-/m0/s1
InChIKeyRZZFIBGBJNWGIZ-NSHDSACASA-N
XLogP-0.98
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 62837563
2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 124840329
2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 124840360
2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 95781787
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]sulfanylacetic acid
CID 2813122
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide
CID 103614914

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide (CID 95280745) is 2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide is CN1CCN(CC(=O)N[C@H]2CCCCNC2=O)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The InChIKey is RZZFIBGBJNWGIZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4O2/c1-16-6-8-17(9-7-16)10-12(18)15-11-4-2-3-5-14-13(11)19/h11H,2-10H2,1H3,(H,14,19)(H,15,18)/t11-/m0/s1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide has a molecular weight of 268.36 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 95280745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).