N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide

C13H17N3O2 — CID 58761975

IUPACN-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
SMILESCN1CCN(C(=O)c2ccc(NC=O)cc2)CC1
InChIInChI=1S/C13H17N3O2/c1-15-6-8-16(9-7-15)13(18)11-2-4-12(5-3-11)14-10-17/h2-5,10H,6-9H2,1H3,(H,14,17)
InChIKeyIPAZGFXGOQEIBS-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.64
Rot. Bonds3

About N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide (PubChem CID 58761975) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
PubChem CID58761975
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
SMILESCN1CCN(C(=O)c2ccc(NC=O)cc2)CC1
InChIInChI=1S/C13H17N3O2/c1-15-6-8-16(9-7-15)13(18)11-2-4-12(5-3-11)14-10-17/h2-5,10H,6-9H2,1H3,(H,14,17)
InChIKeyIPAZGFXGOQEIBS-UHFFFAOYSA-N
XLogP0.64
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
2-[4-(4-formamidobenzoyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 71871539
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
N-[4-(1-methylpiperidine-4-carbonyl)phenyl]formamide
CID 58761955
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776
(4-methylpiperazin-1-yl)-[4-[(phenylhydrazinylidene)methyl]phenyl]methanone
CID 169383570
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
CID 112721883
N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046120
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
CID 119861246

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide?
The IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide (CID 58761975) is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide.
What is the SMILES notation for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide?
The canonical SMILES for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide is CN1CCN(C(=O)c2ccc(NC=O)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide?
The InChIKey is IPAZGFXGOQEIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-6-8-16(9-7-15)13(18)11-2-4-12(5-3-11)14-10-17/h2-5,10H,6-9H2,1H3,(H,14,17).
What are the key properties of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide?
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide has a molecular weight of 247.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide is sourced from PubChem (CID 58761975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).