N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

C15H21N3O3 — CID 95178992

IUPACN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(C)=O
InChIInChI=1S/C15H21N3O3/c1-11(19)16-13-10-12(4-5-14(13)21-3)15(20)18-8-6-17(2)7-9-18/h4-5,10H,6-9H2,1-3H3,(H,16,19)
InChIKeyFQDVVBKNIFUQFH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.04
Rot. Bonds3

About N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 95178992) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
PubChem CID95178992
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(C)=O
InChIInChI=1S/C15H21N3O3/c1-11(19)16-13-10-12(4-5-14(13)21-3)15(20)18-8-6-17(2)7-9-18/h4-5,10H,6-9H2,1-3H3,(H,16,19)
InChIKeyFQDVVBKNIFUQFH-UHFFFAOYSA-N
XLogP1.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800272
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119866736
ethyl 4-(3-acetamido-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110809030
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119866737
3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119866742
7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
CID 119866731
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide
CID 60596548
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
(2S,4S)-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-methyloxane-2-carboxamide
CID 126810048
(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide
CID 60602041

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide (CID 95178992) is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is FQDVVBKNIFUQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11(19)16-13-10-12(4-5-14(13)21-3)15(20)18-8-6-17(2)7-9-18/h4-5,10H,6-9H2,1-3H3,(H,16,19).
What are the key properties of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide?
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 95178992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).