N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide

C19H27N3O3 — CID 47036071

IUPACN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide
SMILESCN1CCN(C(=O)c2ccc(CNC(=O)CC3CCCO3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-21-8-10-22(11-9-21)19(24)16-6-4-15(5-7-16)14-20-18(23)13-17-3-2-12-25-17/h4-7,17H,2-3,8-14H2,1H3,(H,20,23)
InChIKeyJBNYYTXPMMQXHY-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.26
Rot. Bonds5

About N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide

N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide (PubChem CID 47036071) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide
PubChem CID47036071
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide
SMILESCN1CCN(C(=O)c2ccc(CNC(=O)CC3CCCO3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-21-8-10-22(11-9-21)19(24)16-6-4-15(5-7-16)14-20-18(23)13-17-3-2-12-25-17/h4-7,17H,2-3,8-14H2,1H3,(H,20,23)
InChIKeyJBNYYTXPMMQXHY-UHFFFAOYSA-N
XLogP1.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-oxolan-2-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 94130282
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
3-[4-[[[2-(oxolan-2-yl)acetyl]amino]methyl]phenyl]prop-2-enoic acid
CID 77057744
N-[[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide
CID 78813329
2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 94025809
2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55709108
(3R)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51948137
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide
CID 110625410
5-bromo-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 55708979
2-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55525206

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide (CID 47036071) is N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide is CN1CCN(C(=O)c2ccc(CNC(=O)CC3CCCO3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is JBNYYTXPMMQXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-21-8-10-22(11-9-21)19(24)16-6-4-15(5-7-16)14-20-18(23)13-17-3-2-12-25-17/h4-7,17H,2-3,8-14H2,1H3,(H,20,23).
What are the key properties of N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide?
N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 47036071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).