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

C16H23N3O3 — CID 95178995

IUPACN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC
InChIInChI=1S/C16H23N3O3/c1-4-15(20)17-13-11-12(5-6-14(13)22-3)16(21)19-9-7-18(2)8-10-19/h5-6,11H,4,7-10H2,1-3H3,(H,17,20)
InChIKeySPRIPKAUEXSERO-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.43
Rot. Bonds4

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

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 95178995) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID95178995
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC
InChIInChI=1S/C16H23N3O3/c1-4-15(20)17-13-11-12(5-6-14(13)22-3)16(21)19-9-7-18(2)8-10-19/h5-6,11H,4,7-10H2,1-3H3,(H,17,20)
InChIKeySPRIPKAUEXSERO-UHFFFAOYSA-N
XLogP1.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119866737
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-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide
CID 60602041
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119866736
3-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119866742
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941665
ethyl 4-(3-acetamido-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110809030
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (CID 95178995) is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is CCC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is SPRIPKAUEXSERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-15(20)17-13-11-12(5-6-14(13)22-3)16(21)19-9-7-18(2)8-10-19/h5-6,11H,4,7-10H2,1-3H3,(H,17,20).
What are the key properties of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 305.38 g/mol, XLogP of 1.43, 4 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]propanamide is sourced from PubChem (CID 95178995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).