N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide

C19H36N4O2 — CID 170620925

IUPACN-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide
SMILESCC(=O)N(C)CCC(=O)N1CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-16(2)22-9-5-18(6-10-22)15-21-11-13-23(14-12-21)19(25)7-8-20(4)17(3)24/h16,18H,5-15H2,1-4H3
InChIKeyMVEGYFRXRUPFOV-UHFFFAOYSA-N
MW352.52 g/mol
LogP1.12
Rot. Bonds6

About N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide

N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide (PubChem CID 170620925) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide
PubChem CID170620925
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC NameN-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide
SMILESCC(=O)N(C)CCC(=O)N1CCN(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-16(2)22-9-5-18(6-10-22)15-21-11-13-23(14-12-21)19(25)7-8-20(4)17(3)24/h16,18H,5-15H2,1-4H3
InChIKeyMVEGYFRXRUPFOV-UHFFFAOYSA-N
XLogP1.12
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide with MolForge

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Related Compounds

N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide
CID 170620609
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
ethane;2-[methyl(propan-2-yl)amino]-1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 167478965
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 170620451
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-4-propoxybutan-1-one
CID 156820393
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
1-propan-2-yl-4-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]piperazine
CID 167125945
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide?
The IUPAC name of N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide (CID 170620925) is N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide?
The canonical SMILES for N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide is CC(=O)N(C)CCC(=O)N1CCN(CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide?
The InChIKey is MVEGYFRXRUPFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-16(2)22-9-5-18(6-10-22)15-21-11-13-23(14-12-21)19(25)7-8-20(4)17(3)24/h16,18H,5-15H2,1-4H3.
What are the key properties of N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide?
N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide has a molecular weight of 352.52 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 170620925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).