N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide

C17H32N4O2 — CID 170620609

IUPACN-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)N(C)CCC(=O)N1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-15(22)19(3)9-6-17(23)21-12-10-20(11-13-21)14-16-4-7-18(2)8-5-16/h16H,4-14H2,1-3H3
InChIKeyKIRBRXXRRZSQTF-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.34
Rot. Bonds5

About N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide

N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 170620609) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID170620609
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC NameN-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)N(C)CCC(=O)N1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-15(22)19(3)9-6-17(23)21-12-10-20(11-13-21)14-16-4-7-18(2)8-5-16/h16H,4-14H2,1-3H3
InChIKeyKIRBRXXRRZSQTF-UHFFFAOYSA-N
XLogP0.34
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide
CID 170620925
N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 170620451
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
4-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]butan-1-one
CID 60946858
N-methyl-N-[5-(4-methylpiperidin-1-yl)-5-oxopentyl]acetamide
CID 170620733
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-2-one
CID 63236414
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
2-(benzhydrylamino)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 23649168
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 162766916
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpiperidin-4-yl)acetamide;1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 177321628

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide (CID 170620609) is N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide is CC(=O)N(C)CCC(=O)N1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is KIRBRXXRRZSQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-15(22)19(3)9-6-17(23)21-12-10-20(11-13-21)14-16-4-7-18(2)8-5-16/h16H,4-14H2,1-3H3.
What are the key properties of N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide?
N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 324.47 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 170620609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).