N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide

C20H33N5O — CID 133266471

IUPACN-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
SMILESCN1CCC(N(C)CC(=O)N(C)CC2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C20H33N5O/c1-23-11-9-18(10-12-23)24(2)15-20(26)25(3)14-17-13-19(22-21-17)16-7-5-4-6-8-16/h4-8,17-19,21-22H,9-15H2,1-3H3
InChIKeyMPSRLSIMUUEHBF-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.08
Rot. Bonds6

About N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide

N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide (PubChem CID 133266471) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
PubChem CID133266471
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
SMILESCN1CCC(N(C)CC(=O)N(C)CC2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C20H33N5O/c1-23-11-9-18(10-12-23)24(2)15-20(26)25(3)14-17-13-19(22-21-17)16-7-5-4-6-8-16/h4-8,17-19,21-22H,9-15H2,1-3H3
InChIKeyMPSRLSIMUUEHBF-UHFFFAOYSA-N
XLogP1.08
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133117616
2-(3,5-difluorophenyl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133129551
2-(2-ethylimidazol-1-yl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133265861
1-cycloheptyl-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]triazole-4-carboxamide
CID 74812515
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 133264603
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 78086382
N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 133267878
5-(4-methylpiperazin-1-yl)-N-(5-phenylpyrazolidin-3-yl)pentanamide
CID 118988085
2-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 22683833
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 63236552

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide (CID 133266471) is N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide is CN1CCC(N(C)CC(=O)N(C)CC2CC(c3ccccc3)NN2)CC1.
What is the InChIKey of N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
The InChIKey is MPSRLSIMUUEHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-23-11-9-18(10-12-23)24(2)15-20(26)25(3)14-17-13-19(22-21-17)16-7-5-4-6-8-16/h4-8,17-19,21-22H,9-15H2,1-3H3.
What are the key properties of N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide?
N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide has a molecular weight of 359.52 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 133266471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).