N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane

C17H37N3O2 — CID 178103648

IUPACN-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane
SMILESCC.CC(=O)N(CCN1CCN(C)CC1)C(C)=O.CCCC
InChIInChI=1S/C11H21N3O2.C4H10.C2H6/c1-10(15)14(11(2)16)9-8-13-6-4-12(3)5-7-13;1-3-4-2;1-2/h4-9H2,1-3H3;3-4H2,1-2H3;1-2H3
InChIKeyKSKBDOXTZYZBKM-UHFFFAOYSA-N
MW315.50 g/mol
LogP2.46
Rot. Bonds4

About N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane

N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane (PubChem CID 178103648) has the molecular formula C17H37N3O2 and a molecular weight of 315.50 g/mol. Its IUPAC name is N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane.

Molecular Properties

Compound NameN-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane
PubChem CID178103648
Molecular FormulaC17H37N3O2
Molecular Weight315.50 g/mol
Exact Mass315.29
IUPAC NameN-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane
SMILESCC.CC(=O)N(CCN1CCN(C)CC1)C(C)=O.CCCC
InChIInChI=1S/C11H21N3O2.C4H10.C2H6/c1-10(15)14(11(2)16)9-8-13-6-4-12(3)5-7-13;1-3-4-2;1-2/h4-9H2,1-3H3;3-4H2,1-2H3;1-2H3
InChIKeyKSKBDOXTZYZBKM-UHFFFAOYSA-N
XLogP2.46
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 163456508
2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
CID 82853700
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 146274345
ethane;1-methyl-4-pentylpiperazine
CID 145099418
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
2-[2-(4,7-dimethyl-1,4,7-triazonan-1-yl)ethyl-methylamino]acetic acid
CID 178078829
butane;1-ethyl-4-methylpiperazine
CID 143179774
N-butyl-3,3-dimethyl-N-[4-(4-methylpiperazin-1-yl)butyl]butanamide
CID 58848104
1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone
CID 63846150
N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 82892276
N-ethyl-N,N'-dimethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 145302362

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane?
The IUPAC name of N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane (CID 178103648) is N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane.
What is the SMILES notation for N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane?
The canonical SMILES for N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane is CC.CC(=O)N(CCN1CCN(C)CC1)C(C)=O.CCCC.
What is the InChIKey of N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane?
The InChIKey is KSKBDOXTZYZBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.C4H10.C2H6/c1-10(15)14(11(2)16)9-8-13-6-4-12(3)5-7-13;1-3-4-2;1-2/h4-9H2,1-3H3;3-4H2,1-2H3;1-2H3.
What are the key properties of N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane?
N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane has a molecular weight of 315.50 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane is sourced from PubChem (CID 178103648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).