4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide

C16H21N3O2 — CID 43789041

IUPAC4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide
SMILESC#CCN1CCC(Nc2cc(C(N)=O)ccc2OC)CC1
InChIInChI=1S/C16H21N3O2/c1-3-8-19-9-6-13(7-10-19)18-14-11-12(16(17)20)4-5-15(14)21-2/h1,4-5,11,13,18H,6-10H2,2H3,(H2,17,20)
InChIKeyGUGPOOXCOCNTCJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.30
Rot. Bonds5

About 4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide

4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide (PubChem CID 43789041) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide
PubChem CID43789041
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide
SMILESC#CCN1CCC(Nc2cc(C(N)=O)ccc2OC)CC1
InChIInChI=1S/C16H21N3O2/c1-3-8-19-9-6-13(7-10-19)18-14-11-12(16(17)20)4-5-15(14)21-2/h1,4-5,11,13,18H,6-10H2,2H3,(H2,17,20)
InChIKeyGUGPOOXCOCNTCJ-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43785160
4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
4-methoxy-3-(oxepan-4-ylamino)benzamide
CID 65081746
3-[(3,5-dimethylcyclohexyl)amino]-4-methoxybenzamide
CID 64750811
3-(2,3-dihydro-1H-inden-2-ylamino)-4-methoxybenzamide
CID 43735416
ethyl 2-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate
CID 43774654
3-[(1,1-dioxothian-3-yl)amino]-4-methoxybenzamide
CID 63922418
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
CID 63356906
3-methoxy-2-[(1-prop-2-ynylpiperidin-4-yl)amino]benzonitrile
CID 107466782
4-methoxy-3-(oxan-4-ylamino)benzoic acid
CID 55229938
N-(3-methoxy-2,4-dimethylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43789706

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide?
The IUPAC name of 4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide (CID 43789041) is 4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for 4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for 4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide is C#CCN1CCC(Nc2cc(C(N)=O)ccc2OC)CC1.
What is the InChIKey of 4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide?
The InChIKey is GUGPOOXCOCNTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-8-19-9-6-13(7-10-19)18-14-11-12(16(17)20)4-5-15(14)21-2/h1,4-5,11,13,18H,6-10H2,2H3,(H2,17,20).
What are the key properties of 4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide?
4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide has a molecular weight of 287.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 43789041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).